#METABOLOMICS WORKBENCH wsa224_20200825_024025_mwtab.txt DATATRACK_ID:2152 STUDY_ID:ST001517 ANALYSIS_ID:AN002518 PROJECT_ID:000000 VERSION 1 CREATED_ON November 4, 2020, 9:52 am #PROJECT PR:PROJECT_TITLE Identification of distinct metabolic perturbations and associated PR:PROJECT_TITLE immunomodulatory events during intra-erythrocytic development stage of pediatric PR:PROJECT_TITLE Plasmodium falciparum malaria PR:PROJECT_SUMMARY The goal of this study was to interrogate biochemical profiles manifested in PR:PROJECT_SUMMARY human serum samples originating from a cohort of West African children, PR:PROJECT_SUMMARY collected before and during P. falciparum malarial infection, with the aim of PR:PROJECT_SUMMARY characterizing metabolic perturbation associated with severity of malarial PR:PROJECT_SUMMARY infection. PR:INSTITUTE New York University Abu Dhabi PR:DEPARTMENT Biology Department PR:LABORATORY Idaghdour Laboratory PR:LAST_NAME Abdrabou PR:FIRST_NAME Wael PR:ADDRESS Saadiyat Island, P.O Box 129188, Abu Dhabi PR:EMAIL wsa224@nyu.edu PR:PHONE 0562729855 #STUDY ST:STUDY_TITLE Identification of distinct metabolic perturbations and associated ST:STUDY_TITLE immunomodulatory events during intra-erythrocytic development stage of pediatric ST:STUDY_TITLE Plasmodium falciparum malaria (part-III) ST:STUDY_SUMMARY The goal of this study was to interrogate biochemical profiles manifested in ST:STUDY_SUMMARY human serum samples originating from a cohort of West African children, ST:STUDY_SUMMARY collected before and during P. falciparum malarial infection, with the aim of ST:STUDY_SUMMARY characterizing metabolic migration associated with severity of malarial ST:STUDY_SUMMARY infection. ST:INSTITUTE New York University Abu Dhabi ST:LAST_NAME Abdrabou ST:FIRST_NAME Wael ST:ADDRESS Saadiyat Island, P.O Box 129188, Abu Dhabi ST:EMAIL wsa224@nyu.edu ST:PHONE 0562729855 ST:NUM_GROUPS 2 ST:TOTAL_SUBJECTS 53 ST:NUM_MALES 21 ST:NUM_FEMALES 32 #SUBJECT SU:SUBJECT_TYPE Human SU:SUBJECT_SPECIES Homo sapiens SU:TAXONOMY_ID 9606 SU:AGE_OR_AGE_RANGE 5-12 years SU:GENDER Male and female SU:HUMAN_ETHNICITY Fulani (Burkina Faso, West Africa) SU:HUMAN_INCLUSION_CRITERIA residency in the Sapone district area in Burkina Faso, age of 5 to 12 years, no SU:HUMAN_INCLUSION_CRITERIA P. falciparum infection at the time of enrollment (as evidenced by malaria rapid SU:HUMAN_INCLUSION_CRITERIA diagnostic test and confirmed later with microscopy and qPCR), no fever SU:HUMAN_INCLUSION_CRITERIA (axillary temperature ≥37.5°C) or history of fever within the preceding 48 SU:HUMAN_INCLUSION_CRITERIA hours SU:HUMAN_EXCLUSION_CRITERIA history of immunosuppressive diseases or chronic diseases, signs of concomitant SU:HUMAN_EXCLUSION_CRITERIA febrile illness or active infection, use of anti-malarial treatment within the SU:HUMAN_EXCLUSION_CRITERIA preceding two weeks, use of immunosuppressant or other immune-modifying drugs SU:HUMAN_EXCLUSION_CRITERIA within the preceding six months and receiving blood transfusion within the SU:HUMAN_EXCLUSION_CRITERIA preceding three months #SUBJECT_SAMPLE_FACTORS: SUBJECT(optional)[tab]SAMPLE[tab]FACTORS(NAME:VALUE pairs separated by |)[tab]Raw file names and additional sample data SUBJECT_SAMPLE_FACTORS PAM226 PAM226_Inf Infection:Infected Matched (Yes/No)=Yes; ETHNICITY=Fulani; Age (Months)=85; GENDER=Male; Log2 Parasitemia=8.8008999; White Blood Cell Count=7.87; RBC=3.22; Hemoglobin=9.2; Monocytes (%)=20.3 SUBJECT_SAMPLE_FACTORS PAM226 PAM226_NonInf Infection:Non-infected Matched (Yes/No)=Yes; ETHNICITY=Fulani; Age (Months)=85; GENDER=Male; Log2 Parasitemia=-; White Blood Cell Count=6; RBC=4.91; Hemoglobin=13.7; Monocytes (%)=8.3 SUBJECT_SAMPLE_FACTORS PAM229 PAM229_Inf Infection:Infected Matched (Yes/No)=Yes; ETHNICITY=Fulani; Age (Months)=82; GENDER=Male; Log2 Parasitemia=12.42547819; White Blood Cell Count=8.89; RBC=4.34; Hemoglobin=11.1; Monocytes (%)=12.9 SUBJECT_SAMPLE_FACTORS PAM229 PAM229_NonInf Infection:Non-infected Matched (Yes/No)=Yes; ETHNICITY=Fulani; Age (Months)=82; GENDER=Male; Log2 Parasitemia=-; White Blood Cell Count=7.88; RBC=4.77; Hemoglobin=11.7; Monocytes (%)=9.6 SUBJECT_SAMPLE_FACTORS PAM231 PAM231_Inf Infection:Infected Matched (Yes/No)=Yes; ETHNICITY=Fulani; Age (Months)=136; GENDER=Female; Log2 Parasitemia=8.011227255; White Blood Cell Count=4.19; RBC=4.67; Hemoglobin=13.1; Monocytes (%)=16.9 SUBJECT_SAMPLE_FACTORS PAM231 PAM231_NonInf Infection:Non-infected Matched (Yes/No)=Yes; ETHNICITY=Fulani; Age (Months)=136; GENDER=Female; Log2 Parasitemia=-; White Blood Cell Count=5.57; RBC=5.06; Hemoglobin=14.1; Monocytes (%)=13.3 SUBJECT_SAMPLE_FACTORS PAM232 PAM232_Inf Infection:Infected Matched (Yes/No)=Yes; ETHNICITY=Fulani; Age (Months)=136; GENDER=Male; Log2 Parasitemia=6.672425342; White Blood Cell Count=6.68; RBC=4.53; Hemoglobin=12.4; Monocytes (%)=14.1 SUBJECT_SAMPLE_FACTORS PAM232 PAM232_NonInf Infection:Non-infected Matched (Yes/No)=Yes; ETHNICITY=Fulani; Age (Months)=136; GENDER=Male; Log2 Parasitemia=-; White Blood Cell Count=8.03; RBC=5.12; Hemoglobin=14.3; Monocytes (%)=10 SUBJECT_SAMPLE_FACTORS PAM233 PAM233_Inf Infection:Infected Matched (Yes/No)=Yes; ETHNICITY=Fulani; Age (Months)=84; GENDER=Female; Log2 Parasitemia=9.761551232; White Blood Cell Count=8.78; RBC=4.05; Hemoglobin=10.4; Monocytes (%)=8.8 SUBJECT_SAMPLE_FACTORS PAM233 PAM233_NonInf Infection:Non-infected Matched (Yes/No)=Yes; ETHNICITY=Fulani; Age (Months)=84; GENDER=Female; Log2 Parasitemia=-; White Blood Cell Count=9.18; RBC=4.63; Hemoglobin=12.2; Monocytes (%)=8.8 SUBJECT_SAMPLE_FACTORS PAM234 PAM234_Inf Infection:Infected Matched (Yes/No)=Yes; ETHNICITY=Fulani; Age (Months)=81; GENDER=Female; Log2 Parasitemia=8.784634846; White Blood Cell Count=7.77; RBC=4.66; Hemoglobin=11.4; Monocytes (%)=5.7 SUBJECT_SAMPLE_FACTORS PAM234 PAM234_NonInf Infection:Non-infected Matched (Yes/No)=Yes; ETHNICITY=Fulani; Age (Months)=81; GENDER=Female; Log2 Parasitemia=-; White Blood Cell Count=7.68; RBC=4.65; Hemoglobin=11.7; Monocytes (%)=6.8 SUBJECT_SAMPLE_FACTORS PAM253 PAM253_Inf Infection:Infected Matched (Yes/No)=Yes; ETHNICITY=Fulani; Age (Months)=142; GENDER=Male; Log2 Parasitemia=7.383704292; White Blood Cell Count=6.25; RBC=4.6; Hemoglobin=8.6; Monocytes (%)=5.6 SUBJECT_SAMPLE_FACTORS PAM253 PAM253_NonInf Infection:Non-infected Matched (Yes/No)=Yes; ETHNICITY=Fulani; Age (Months)=142; GENDER=Male; Log2 Parasitemia=-; White Blood Cell Count=6.52; RBC=4.82; Hemoglobin=9.2; Monocytes (%)=7.5 SUBJECT_SAMPLE_FACTORS PAM256 PAM256_Inf Infection:Infected Matched (Yes/No)=Yes; ETHNICITY=Fulani; Age (Months)=88; GENDER=Male; Log2 Parasitemia=6.321928095; White Blood Cell Count=5.72; RBC=4.04; Hemoglobin=10; Monocytes (%)=10.3 SUBJECT_SAMPLE_FACTORS PAM256 PAM256_NonInf Infection:Non-infected Matched (Yes/No)=Yes; ETHNICITY=Fulani; Age (Months)=88; GENDER=Male; Log2 Parasitemia=-; White Blood Cell Count=7.04; RBC=4.87; Hemoglobin=12.5; Monocytes (%)=6.3 SUBJECT_SAMPLE_FACTORS PAM257 PAM257_Inf Infection:Infected Matched (Yes/No)=Yes; ETHNICITY=Fulani; Age (Months)=69; GENDER=Female; Log2 Parasitemia=6.584962501; White Blood Cell Count=10.75; RBC=3.45; Hemoglobin=8.3; Monocytes (%)=8.6 SUBJECT_SAMPLE_FACTORS PAM257 PAM257_NonInf Infection:Non-infected Matched (Yes/No)=Yes; ETHNICITY=Fulani; Age (Months)=69; GENDER=Female; Log2 Parasitemia=-; White Blood Cell Count=8.05; RBC=3.95; Hemoglobin=9.8; Monocytes (%)=6.1 SUBJECT_SAMPLE_FACTORS PAM260 PAM260_Inf Infection:Infected Matched (Yes/No)=Yes; ETHNICITY=Fulani; Age (Months)=78; GENDER=Female; Log2 Parasitemia=13.61090949; White Blood Cell Count=8.13; RBC=4.04; Hemoglobin=9.1; Monocytes (%)=13.8 SUBJECT_SAMPLE_FACTORS PAM260 PAM260_NonInf Infection:Non-infected Matched (Yes/No)=Yes; ETHNICITY=Fulani; Age (Months)=78; GENDER=Female; Log2 Parasitemia=-; White Blood Cell Count=6.82; RBC=4.11; Hemoglobin=9.6; Monocytes (%)=6.3 SUBJECT_SAMPLE_FACTORS PAM264 PAM264_Inf Infection:Infected Matched (Yes/No)=Yes; ETHNICITY=Fulani; Age (Months)=141; GENDER=Female; Log2 Parasitemia=7.129283017; White Blood Cell Count=7.72; RBC=4.52; Hemoglobin=12.6; Monocytes (%)=6.9 SUBJECT_SAMPLE_FACTORS PAM264 PAM264_NonInf Infection:Non-infected Matched (Yes/No)=Yes; ETHNICITY=Fulani; Age (Months)=141; GENDER=Female; Log2 Parasitemia=-; White Blood Cell Count=7.45; RBC=4.2; Hemoglobin=11.8; Monocytes (%)=8.3 SUBJECT_SAMPLE_FACTORS PAM265 PAM265_Inf Infection:Infected Matched (Yes/No)=Yes; ETHNICITY=Fulani; Age (Months)=99; GENDER=Male; Log2 Parasitemia=7.960001932; White Blood Cell Count=6.58; RBC=4.88; Hemoglobin=12.1; Monocytes (%)=11.4 SUBJECT_SAMPLE_FACTORS PAM265 PAM265_NonInf Infection:Non-infected Matched (Yes/No)=Yes; ETHNICITY=Fulani; Age (Months)=99; GENDER=Male; Log2 Parasitemia=-; White Blood Cell Count=6.22; RBC=4.89; Hemoglobin=12; Monocytes (%)=10.8 SUBJECT_SAMPLE_FACTORS PAM266 PAM266_Inf Infection:Infected Matched (Yes/No)=Yes; ETHNICITY=Fulani; Age (Months)=93; GENDER=Female; Log2 Parasitemia=8.77478706; White Blood Cell Count=11.9; RBC=3.89; Hemoglobin=10; Monocytes (%)=13.7 SUBJECT_SAMPLE_FACTORS PAM266 PAM266_NonInf Infection:Non-infected Matched (Yes/No)=Yes; ETHNICITY=Fulani; Age (Months)=93; GENDER=Female; Log2 Parasitemia=-; White Blood Cell Count=9.17; RBC=4.6; Hemoglobin=12; Monocytes (%)=7.2 SUBJECT_SAMPLE_FACTORS PAM267 PAM267_Inf Infection:Infected Matched (Yes/No)=Yes; ETHNICITY=Fulani; Age (Months)=100; GENDER=Female; Log2 Parasitemia=6.321928095; White Blood Cell Count=8.63; RBC=4.5; Hemoglobin=10.9; Monocytes (%)=8.1 SUBJECT_SAMPLE_FACTORS PAM267 PAM267_NonInf Infection:Non-infected Matched (Yes/No)=Yes; ETHNICITY=Fulani; Age (Months)=100; GENDER=Female; Log2 Parasitemia=-; White Blood Cell Count=8.67; RBC=5.29; Hemoglobin=13.01; Monocytes (%)=9.3 SUBJECT_SAMPLE_FACTORS PAM268 PAM268_Inf Infection:Infected Matched (Yes/No)=Yes; ETHNICITY=Fulani; Age (Months)=115; GENDER=Female; Log2 Parasitemia=7.845490051; White Blood Cell Count=8.24; RBC=4.62; Hemoglobin=11.7; Monocytes (%)=8.1 SUBJECT_SAMPLE_FACTORS PAM268 PAM268_NonInf Infection:Non-infected Matched (Yes/No)=Yes; ETHNICITY=Fulani; Age (Months)=115; GENDER=Female; Log2 Parasitemia=-; White Blood Cell Count=7.75; RBC=4.61; Hemoglobin=12.2; Monocytes (%)=6.6 SUBJECT_SAMPLE_FACTORS PAM273 PAM273_Inf Infection:Infected Matched (Yes/No)=Yes; ETHNICITY=Fulani; Age (Months)=104; GENDER=Female; Log2 Parasitemia=9.46760555; White Blood Cell Count=8.96; RBC=4.15; Hemoglobin=11.4; Monocytes (%)=10.2 SUBJECT_SAMPLE_FACTORS PAM273 PAM273_NonInf Infection:Non-infected Matched (Yes/No)=Yes; ETHNICITY=Fulani; Age (Months)=104; GENDER=Female; Log2 Parasitemia=-; White Blood Cell Count=9.17; RBC=4.35; Hemoglobin=11.9; Monocytes (%)=7.3 SUBJECT_SAMPLE_FACTORS PAM274 PAM274_Inf Infection:Infected Matched (Yes/No)=Yes; ETHNICITY=Fulani; Age (Months)=141; GENDER=Female; Log2 Parasitemia=8.721099189; White Blood Cell Count=7.04; RBC=4.66; Hemoglobin=9.4; Monocytes (%)=11.1 SUBJECT_SAMPLE_FACTORS PAM274 PAM274_NonInf Infection:Non-infected Matched (Yes/No)=Yes; ETHNICITY=Fulani; Age (Months)=141; GENDER=Female; Log2 Parasitemia=-; White Blood Cell Count=7.77; RBC=4.88; Hemoglobin=10.6; Monocytes (%)=12.5 SUBJECT_SAMPLE_FACTORS PAM275 PAM275_Inf Infection:Infected Matched (Yes/No)=Yes; ETHNICITY=Fulani; Age (Months)=69; GENDER=Male; Log2 Parasitemia=9.627533884; White Blood Cell Count=6.8; RBC=3.99; Hemoglobin=10.7; Monocytes (%)=10.1 SUBJECT_SAMPLE_FACTORS PAM275 PAM275_NonInf Infection:Non-infected Matched (Yes/No)=Yes; ETHNICITY=Fulani; Age (Months)=69; GENDER=Male; Log2 Parasitemia=-; White Blood Cell Count=7.39; RBC=3.83; Hemoglobin=10.3; Monocytes (%)=8.8 SUBJECT_SAMPLE_FACTORS PAM276 PAM276_Inf Infection:Infected Matched (Yes/No)=Yes; ETHNICITY=Fulani; Age (Months)=71; GENDER=Male; Log2 Parasitemia=10.40620501; White Blood Cell Count=7.28; RBC=4.27; Hemoglobin=10.6; Monocytes (%)=6.3 SUBJECT_SAMPLE_FACTORS PAM276 PAM276_NonInf Infection:Non-infected Matched (Yes/No)=Yes; ETHNICITY=Fulani; Age (Months)=71; GENDER=Male; Log2 Parasitemia=-; White Blood Cell Count=7.53; RBC=4.63; Hemoglobin=11.6; Monocytes (%)=6.2 SUBJECT_SAMPLE_FACTORS PAM277 PAM277_Inf Infection:Infected Matched (Yes/No)=Yes; ETHNICITY=Fulani; Age (Months)=131; GENDER=Female; Log2 Parasitemia=11.23242093; White Blood Cell Count=5.37; RBC=4.42; Hemoglobin=10.8; Monocytes (%)=13.4 SUBJECT_SAMPLE_FACTORS PAM277 PAM277_NonInf Infection:Non-infected Matched (Yes/No)=Yes; ETHNICITY=Fulani; Age (Months)=131; GENDER=Female; Log2 Parasitemia=-; White Blood Cell Count=7.31; RBC=4.79; Hemoglobin=12.1; Monocytes (%)=6.4 SUBJECT_SAMPLE_FACTORS PAM278 PAM278_Inf Infection:Infected Matched (Yes/No)=Yes; ETHNICITY=Fulani; Age (Months)=125; GENDER=Male; Log2 Parasitemia=8.607330314; White Blood Cell Count=5.6; RBC=4.38; Hemoglobin=11.7; Monocytes (%)=10 SUBJECT_SAMPLE_FACTORS PAM278 PAM278_NonInf Infection:Non-infected Matched (Yes/No)=Yes; ETHNICITY=Fulani; Age (Months)=125; GENDER=Male; Log2 Parasitemia=-; White Blood Cell Count=5.75; RBC=4.46; Hemoglobin=12.1; Monocytes (%)=11.3 SUBJECT_SAMPLE_FACTORS PAM280 PAM280_Inf Infection:Infected Matched (Yes/No)=Yes; ETHNICITY=Fulani; Age (Months)=70; GENDER=Female; Log2 Parasitemia=8.945443836; White Blood Cell Count=7.95; RBC=4.28; Hemoglobin=12; Monocytes (%)=12.3 SUBJECT_SAMPLE_FACTORS PAM280 PAM280_NonInf Infection:Non-infected Matched (Yes/No)=Yes; ETHNICITY=Fulani; Age (Months)=70; GENDER=Female; Log2 Parasitemia=-; White Blood Cell Count=7.11; RBC=4.47; Hemoglobin=12.6; Monocytes (%)=9.1 SUBJECT_SAMPLE_FACTORS PAM284 PAM284_Inf Infection:Infected Matched (Yes/No)=Yes; ETHNICITY=Fulani; Age (Months)=82; GENDER=Male; Log2 Parasitemia=6.285402219; White Blood Cell Count=9.19; RBC=3.82; Hemoglobin=10.2; Monocytes (%)=16 SUBJECT_SAMPLE_FACTORS PAM284 PAM284_NonInf Infection:Non-infected Matched (Yes/No)=Yes; ETHNICITY=Fulani; Age (Months)=82; GENDER=Male; Log2 Parasitemia=-; White Blood Cell Count=9.31; RBC=4.9; Hemoglobin=12.2; Monocytes (%)=9.8 SUBJECT_SAMPLE_FACTORS PAM293 PAM293_Inf Infection:Infected Matched (Yes/No)=Yes; ETHNICITY=Fulani; Age (Months)=131; GENDER=Female; Log2 Parasitemia=7.741466986; White Blood Cell Count=4.62; RBC=3.86; Hemoglobin=10.7; Monocytes (%)=13.7 SUBJECT_SAMPLE_FACTORS PAM293 PAM293_NonInf Infection:Non-infected Matched (Yes/No)=Yes; ETHNICITY=Fulani; Age (Months)=131; GENDER=Female; Log2 Parasitemia=-; White Blood Cell Count=7.45; RBC=4.13; Hemoglobin=11.4; Monocytes (%)=9.4 SUBJECT_SAMPLE_FACTORS PAM296 PAM296_Inf Infection:Infected Matched (Yes/No)=Yes; ETHNICITY=Fulani; Age (Months)=118; GENDER=Male; Log2 Parasitemia=8.781359714; White Blood Cell Count=6.23; RBC=3.77; Hemoglobin=10.2; Monocytes (%)=16.2 SUBJECT_SAMPLE_FACTORS PAM296 PAM296_NonInf Infection:Non-infected Matched (Yes/No)=Yes; ETHNICITY=Fulani; Age (Months)=118; GENDER=Male; Log2 Parasitemia=-; White Blood Cell Count=9.15; RBC=4.02; Hemoglobin=10.6; Monocytes (%)=7.8 SUBJECT_SAMPLE_FACTORS PAM302 PAM302_Inf Infection:Infected Matched (Yes/No)=Yes; ETHNICITY=Fulani; Age (Months)=97; GENDER=Male; Log2 Parasitemia=8.62935662; White Blood Cell Count=5.45; RBC=3.82; Hemoglobin=9.5; Monocytes (%)=14.3 SUBJECT_SAMPLE_FACTORS PAM302 PAM302_NonInf Infection:Non-infected Matched (Yes/No)=Yes; ETHNICITY=Fulani; Age (Months)=97; GENDER=Male; Log2 Parasitemia=-; White Blood Cell Count=7.91; RBC=4.19; Hemoglobin=10.7; Monocytes (%)=6.4 SUBJECT_SAMPLE_FACTORS PAM309 PAM309_Inf Infection:Infected Matched (Yes/No)=Yes; ETHNICITY=Fulani; Age (Months)=126; GENDER=Female; Log2 Parasitemia=8.64385619; White Blood Cell Count=4.85; RBC=3.64; Hemoglobin=10.4; Monocytes (%)=7.8 SUBJECT_SAMPLE_FACTORS PAM309 PAM309_NonInf Infection:Non-infected Matched (Yes/No)=Yes; ETHNICITY=Fulani; Age (Months)=126; GENDER=Female; Log2 Parasitemia=-; White Blood Cell Count=7.52; RBC=4.39; Hemoglobin=10.7; Monocytes (%)=8.1 SUBJECT_SAMPLE_FACTORS PAM310 PAM310_Inf Infection:Infected Matched (Yes/No)=Yes; ETHNICITY=Fulani; Age (Months)=92; GENDER=Female; Log2 Parasitemia=7.531381461; White Blood Cell Count=8.35; RBC=4.37; Hemoglobin=10.8; Monocytes (%)=8.5 SUBJECT_SAMPLE_FACTORS PAM310 PAM310_NonInf Infection:Non-infected Matched (Yes/No)=Yes; ETHNICITY=Fulani; Age (Months)=92; GENDER=Female; Log2 Parasitemia=-; White Blood Cell Count=5.04; RBC=3.68; Hemoglobin=10.2; Monocytes (%)=8.3 SUBJECT_SAMPLE_FACTORS PAM332 PAM332_Inf Infection:Infected Matched (Yes/No)=Yes; ETHNICITY=Fulani; Age (Months)=114; GENDER=Male; Log2 Parasitemia=9.084808388; White Blood Cell Count=9.38; RBC=4.3; Hemoglobin=7.5; Monocytes (%)=15.5 SUBJECT_SAMPLE_FACTORS PAM332 PAM332_NonInf Infection:Non-infected Matched (Yes/No)=Yes; ETHNICITY=Fulani; Age (Months)=114; GENDER=Male; Log2 Parasitemia=-; White Blood Cell Count=10.92; RBC=4.79; Hemoglobin=8.2; Monocytes (%)=8.4 SUBJECT_SAMPLE_FACTORS PAM334 PAM334_Inf Infection:Infected Matched (Yes/No)=Yes; ETHNICITY=Fulani; Age (Months)=77; GENDER=Female; Log2 Parasitemia=8.64385619; White Blood Cell Count=5.73; RBC=4.29; Hemoglobin=11.2; Monocytes (%)=4.5 SUBJECT_SAMPLE_FACTORS PAM334 PAM334_NonInf Infection:Non-infected Matched (Yes/No)=Yes; ETHNICITY=Fulani; Age (Months)=77; GENDER=Female; Log2 Parasitemia=-; White Blood Cell Count=9.09; RBC=3.78; Hemoglobin=10.2; Monocytes (%)=5.5 SUBJECT_SAMPLE_FACTORS PAM335 PAM335_Inf Infection:Infected Matched (Yes/No)=Yes; ETHNICITY=Fulani; Age (Months)=149; GENDER=Male; Log2 Parasitemia=8.651051691; White Blood Cell Count=5.55; RBC=4.02; Hemoglobin=11; Monocytes (%)=11.9 SUBJECT_SAMPLE_FACTORS PAM335 PAM335_NonInf Infection:Non-infected Matched (Yes/No)=Yes; ETHNICITY=Fulani; Age (Months)=149; GENDER=Male; Log2 Parasitemia=-; White Blood Cell Count=6.51; RBC=3.93; Hemoglobin=10.8; Monocytes (%)=8.3 SUBJECT_SAMPLE_FACTORS PAM336 PAM336_Inf Infection:Infected Matched (Yes/No)=Yes; ETHNICITY=Fulani; Age (Months)=72; GENDER=Female; Log2 Parasitemia=12.659327; White Blood Cell Count=9.92; RBC=4.27; Hemoglobin=9.4; Monocytes (%)=13.7 SUBJECT_SAMPLE_FACTORS PAM336 PAM336_NonInf Infection:Non-infected Matched (Yes/No)=Yes; ETHNICITY=Fulani; Age (Months)=72; GENDER=Female; Log2 Parasitemia=-; White Blood Cell Count=8.48; RBC=4.74; Hemoglobin=10.7; Monocytes (%)=5.9 SUBJECT_SAMPLE_FACTORS PAM337 PAM337_Inf Infection:Infected Matched (Yes/No)=Yes; ETHNICITY=Fulani; Age (Months)=113; GENDER=Female; Log2 Parasitemia=9.016808288; White Blood Cell Count=8.59; RBC=4.82; Hemoglobin=11.3; Monocytes (%)=11.4 SUBJECT_SAMPLE_FACTORS PAM337 PAM337_NonInf Infection:Non-infected Matched (Yes/No)=Yes; ETHNICITY=Fulani; Age (Months)=113; GENDER=Female; Log2 Parasitemia=-; White Blood Cell Count=8.23; RBC=4.74; Hemoglobin=11.2; Monocytes (%)=8.9 SUBJECT_SAMPLE_FACTORS PAM338 PAM338_Inf Infection:Infected Matched (Yes/No)=Yes; ETHNICITY=Fulani; Age (Months)=112; GENDER=Female; Log2 Parasitemia=7; White Blood Cell Count=5.95; RBC=4.45; Hemoglobin=10.7; Monocytes (%)=17.5 SUBJECT_SAMPLE_FACTORS PAM338 PAM338_NonInf Infection:Non-infected Matched (Yes/No)=Yes; ETHNICITY=Fulani; Age (Months)=112; GENDER=Female; Log2 Parasitemia=-; White Blood Cell Count=5.12; RBC=4.6; Hemoglobin=11.1; Monocytes (%)=10 SUBJECT_SAMPLE_FACTORS PAM339 PAM339_Inf Infection:Infected Matched (Yes/No)=Yes; ETHNICITY=Fulani; Age (Months)=66; GENDER=Female; Log2 Parasitemia=14.99881077; White Blood Cell Count=6.89; RBC=4.39; Hemoglobin=10.9; Monocytes (%)=5.7 SUBJECT_SAMPLE_FACTORS PAM339 PAM339_NonInf Infection:Non-infected Matched (Yes/No)=Yes; ETHNICITY=Fulani; Age (Months)=66; GENDER=Female; Log2 Parasitemia=-; White Blood Cell Count=6.46; RBC=4.35; Hemoglobin=10.9; Monocytes (%)=5.6 SUBJECT_SAMPLE_FACTORS PAM340 PAM340_Inf Infection:Infected Matched (Yes/No)=Yes; ETHNICITY=Fulani; Age (Months)=100; GENDER=Male; Log2 Parasitemia=13.05409552; White Blood Cell Count=5.88; RBC=3.93; Hemoglobin=9.6; Monocytes (%)=18 SUBJECT_SAMPLE_FACTORS PAM340 PAM340_NonInf Infection:Non-infected Matched (Yes/No)=Yes; ETHNICITY=Fulani; Age (Months)=100; GENDER=Male; Log2 Parasitemia=-; White Blood Cell Count=6.39; RBC=4; Hemoglobin=9.8; Monocytes (%)=9.1 SUBJECT_SAMPLE_FACTORS PAM342 PAM342_Inf Infection:Infected Matched (Yes/No)=Yes; ETHNICITY=Fulani; Age (Months)=100; GENDER=Male; Log2 Parasitemia=10.18982456; White Blood Cell Count=8.51; RBC=4.59; Hemoglobin=10.9; Monocytes (%)=15 SUBJECT_SAMPLE_FACTORS PAM342 PAM342_NonInf Infection:Non-infected Matched (Yes/No)=Yes; ETHNICITY=Fulani; Age (Months)=100; GENDER=Male; Log2 Parasitemia=-; White Blood Cell Count=6.55; RBC=5.02; Hemoglobin=11.8; Monocytes (%)=18.2 SUBJECT_SAMPLE_FACTORS PAM343 PAM343_Inf Infection:Infected Matched (Yes/No)=Yes; ETHNICITY=Fulani; Age (Months)=88; GENDER=Male; Log2 Parasitemia=12.66111003; White Blood Cell Count=7.67; RBC=4.36; Hemoglobin=9.2; Monocytes (%)=13.7 SUBJECT_SAMPLE_FACTORS PAM343 PAM343_NonInf Infection:Non-infected Matched (Yes/No)=Yes; ETHNICITY=Fulani; Age (Months)=88; GENDER=Male; Log2 Parasitemia=-; White Blood Cell Count=8.28; RBC=4.72; Hemoglobin=10; Monocytes (%)=9.5 SUBJECT_SAMPLE_FACTORS PAM344 PAM344_Inf Infection:Infected Matched (Yes/No)=Yes; ETHNICITY=Fulani; Age (Months)=90; GENDER=Male; Log2 Parasitemia=13.18472041; White Blood Cell Count=7.41; RBC=3.6; Hemoglobin=10.1; Monocytes (%)=17.3 SUBJECT_SAMPLE_FACTORS PAM344 PAM344_NonInf Infection:Non-infected Matched (Yes/No)=Yes; ETHNICITY=Fulani; Age (Months)=90; GENDER=Male; Log2 Parasitemia=-; White Blood Cell Count=6.65; RBC=4.05; Hemoglobin=11.1; Monocytes (%)=12 SUBJECT_SAMPLE_FACTORS PAM345 PAM345_Inf Infection:Infected Matched (Yes/No)=Yes; ETHNICITY=Fulani; Age (Months)=65; GENDER=Male; Log2 Parasitemia=8.438791853; White Blood Cell Count=8.71; RBC=4.22; Hemoglobin=10.5; Monocytes (%)=12.5 SUBJECT_SAMPLE_FACTORS PAM345 PAM345_NonInf Infection:Non-infected Matched (Yes/No)=Yes; ETHNICITY=Fulani; Age (Months)=65; GENDER=Male; Log2 Parasitemia=-; White Blood Cell Count=8; RBC=4; Hemoglobin=10.4; Monocytes (%)=14.3 SUBJECT_SAMPLE_FACTORS PAM346 PAM346_Inf Infection:Infected Matched (Yes/No)=Yes; ETHNICITY=Fulani; Age (Months)=150; GENDER=Female; Log2 Parasitemia=10.92407019; White Blood Cell Count=6.47; RBC=4.17; Hemoglobin=12.7; Monocytes (%)=19.3 SUBJECT_SAMPLE_FACTORS PAM346 PAM346_NonInf Infection:Non-infected Matched (Yes/No)=Yes; ETHNICITY=Fulani; Age (Months)=150; GENDER=Female; Log2 Parasitemia=-; White Blood Cell Count=5.44; RBC=3.59; Hemoglobin=11; Monocytes (%)=10.5 SUBJECT_SAMPLE_FACTORS PAM352 PAM352_Inf Infection:Infected Matched (Yes/No)=Yes; ETHNICITY=Fulani; Age (Months)=150; GENDER=Female; Log2 Parasitemia=7.409390936; White Blood Cell Count=5.72; RBC=3.94; Hemoglobin=10.8; Monocytes (%)=15.9 SUBJECT_SAMPLE_FACTORS PAM352 PAM352_NonInf Infection:Non-infected Matched (Yes/No)=Yes; ETHNICITY=Fulani; Age (Months)=150; GENDER=Female; Log2 Parasitemia=-; White Blood Cell Count=4.9; RBC=4.17; Hemoglobin=11.4; Monocytes (%)=14.7 SUBJECT_SAMPLE_FACTORS PAM355 PAM355_Inf Infection:Infected Matched (Yes/No)=Yes; ETHNICITY=Fulani; Age (Months)=64; GENDER=Female; Log2 Parasitemia=13.26664016; White Blood Cell Count=7.73; RBC=4.06; Hemoglobin=11.3; Monocytes (%)=9.4 SUBJECT_SAMPLE_FACTORS PAM355 PAM355_NonInf Infection:Non-infected Matched (Yes/No)=Yes; ETHNICITY=Fulani; Age (Months)=64; GENDER=Female; Log2 Parasitemia=-; White Blood Cell Count=6.38; RBC=4.41; Hemoglobin=12.4; Monocytes (%)=7.7 SUBJECT_SAMPLE_FACTORS PAM356 PAM356_Inf Infection:Infected Matched (Yes/No)=Yes; ETHNICITY=Fulani; Age (Months)=150; GENDER=Female; Log2 Parasitemia=8.321928095; White Blood Cell Count=6.09; RBC=4.29; Hemoglobin=11.9; Monocytes (%)=14.4 SUBJECT_SAMPLE_FACTORS PAM356 PAM356_NonInf Infection:Non-infected Matched (Yes/No)=Yes; ETHNICITY=Fulani; Age (Months)=150; GENDER=Female; Log2 Parasitemia=-; White Blood Cell Count=8.05; RBC=4.19; Hemoglobin=11.8; Monocytes (%)=9.7 SUBJECT_SAMPLE_FACTORS PAM357 PAM357_Inf Infection:Infected Matched (Yes/No)=Yes; ETHNICITY=Fulani; Age (Months)=126; GENDER=Female; Log2 Parasitemia=6.906890596; White Blood Cell Count=4.52; RBC=3.72; Hemoglobin=10.5; Monocytes (%)=14.4 SUBJECT_SAMPLE_FACTORS PAM357 PAM357_NonInf Infection:Non-infected Matched (Yes/No)=Yes; ETHNICITY=Fulani; Age (Months)=126; GENDER=Female; Log2 Parasitemia=-; White Blood Cell Count=4.31; RBC=3.58; Hemoglobin=10.2; Monocytes (%)=13.9 SUBJECT_SAMPLE_FACTORS PAM358 PAM358_Inf Infection:Infected Matched (Yes/No)=Yes; ETHNICITY=Fulani; Age (Months)=150; GENDER=Female; Log2 Parasitemia=9.816983623; White Blood Cell Count=5.39; RBC=3.66; Hemoglobin=10.7; Monocytes (%)=9.1 SUBJECT_SAMPLE_FACTORS PAM358 PAM358_NonInf Infection:Non-infected Matched (Yes/No)=Yes; ETHNICITY=Fulani; Age (Months)=150; GENDER=Female; Log2 Parasitemia=-; White Blood Cell Count=4.17; RBC=3.96; Hemoglobin=11.5; Monocytes (%)=9.8 SUBJECT_SAMPLE_FACTORS PAM360 PAM360_Inf Infection:Infected Matched (Yes/No)=Yes; ETHNICITY=Fulani; Age (Months)=65; GENDER=Male; Log2 Parasitemia=8.668884984; White Blood Cell Count=7.06; RBC=3.64; Hemoglobin=9.1; Monocytes (%)=14.3 SUBJECT_SAMPLE_FACTORS PAM360 PAM360_NonInf Infection:Non-infected Matched (Yes/No)=Yes; ETHNICITY=Fulani; Age (Months)=65; GENDER=Male; Log2 Parasitemia=-; White Blood Cell Count=9.11; RBC=3.92; Hemoglobin=10.6; Monocytes (%)=8.9 SUBJECT_SAMPLE_FACTORS PAM362 PAM362_Inf Infection:Infected Matched (Yes/No)=Yes; ETHNICITY=Fulani; Age (Months)=89; GENDER=Male; Log2 Parasitemia=6.169925001; White Blood Cell Count=7.75; RBC=4.86; Hemoglobin=12.6; Monocytes (%)=10.5 SUBJECT_SAMPLE_FACTORS PAM362 PAM362_NonInf Infection:Non-infected Matched (Yes/No)=Yes; ETHNICITY=Fulani; Age (Months)=89; GENDER=Male; Log2 Parasitemia=-; White Blood Cell Count=6.36; RBC=4.31; Hemoglobin=11.6; Monocytes (%)=10.1 SUBJECT_SAMPLE_FACTORS PAM363 PAM363_Inf Infection:Infected Matched (Yes/No)=Yes; ETHNICITY=Fulani; Age (Months)=101; GENDER=Female; Log2 Parasitemia=13.25989035; White Blood Cell Count=5.39; RBC=3.44; Hemoglobin=9.7; Monocytes (%)=16.5 SUBJECT_SAMPLE_FACTORS PAM363 PAM363_NonInf Infection:Non-infected Matched (Yes/No)=Yes; ETHNICITY=Fulani; Age (Months)=101; GENDER=Female; Log2 Parasitemia=-; White Blood Cell Count=7.08; RBC=4.37; Hemoglobin=12.4; Monocytes (%)=5.6 SUBJECT_SAMPLE_FACTORS PAM364 PAM364_Inf Infection:Infected Matched (Yes/No)=Yes; ETHNICITY=Fulani; Age (Months)=101; GENDER=Female; Log2 Parasitemia=7.918863237; White Blood Cell Count=6.9; RBC=4.18; Hemoglobin=11.1; Monocytes (%)=11.7 SUBJECT_SAMPLE_FACTORS PAM364 PAM364_NonInf Infection:Non-infected Matched (Yes/No)=Yes; ETHNICITY=Fulani; Age (Months)=101; GENDER=Female; Log2 Parasitemia=-; White Blood Cell Count=6.69; RBC=4.05; Hemoglobin=11.2; Monocytes (%)=12.7 SUBJECT_SAMPLE_FACTORS PAM365 PAM365_Inf Infection:Infected Matched (Yes/No)=Yes; ETHNICITY=Fulani; Age (Months)=126; GENDER=Female; Log2 Parasitemia=8.64385619; White Blood Cell Count=6.87; RBC=3.86; Hemoglobin=9.6; Monocytes (%)=18.3 SUBJECT_SAMPLE_FACTORS PAM365 PAM365_NonInf Infection:Non-infected Matched (Yes/No)=Yes; ETHNICITY=Fulani; Age (Months)=126; GENDER=Female; Log2 Parasitemia=-; White Blood Cell Count=7.46; RBC=4.24; Hemoglobin=10.7; Monocytes (%)=10.5 SUBJECT_SAMPLE_FACTORS PAM368 PAM368_Inf Infection:Infected Matched (Yes/No)=Yes; ETHNICITY=Fulani; Age (Months)=65; GENDER=Female; Log2 Parasitemia=10.81458247; White Blood Cell Count=9.91; RBC=3.49; Hemoglobin=10; Monocytes (%)=11.2 SUBJECT_SAMPLE_FACTORS PAM368 PAM368_NonInf Infection:Non-infected Matched (Yes/No)=Yes; ETHNICITY=Fulani; Age (Months)=65; GENDER=Female; Log2 Parasitemia=-; White Blood Cell Count=6.49; RBC=4.02; Hemoglobin=11.3; Monocytes (%)=10.5 SUBJECT_SAMPLE_FACTORS PAM369 PAM369_Inf Infection:Infected Matched (Yes/No)=Yes; ETHNICITY=Fulani; Age (Months)=75; GENDER=Female; Log2 Parasitemia=9.554588852; White Blood Cell Count=5.6; RBC=4.21; Hemoglobin=11.2; Monocytes (%)=7.7 SUBJECT_SAMPLE_FACTORS PAM369 PAM369_NonInf Infection:Non-infected Matched (Yes/No)=Yes; ETHNICITY=Fulani; Age (Months)=75; GENDER=Female; Log2 Parasitemia=-; White Blood Cell Count=6.96; RBC=4.17; Hemoglobin=11.4; Monocytes (%)=9.2 #COLLECTION CO:COLLECTION_SUMMARY Peripheral blood samples were collected in Serum Separator Tubes (SST). Serum CO:COLLECTION_SUMMARY samples were isolated on site in Burkina Faso by centrifuging blood samples in CO:COLLECTION_SUMMARY SST tubes for 30 minutes at 1500 RCF. Separated serum aliquots of 0.5 ml were CO:COLLECTION_SUMMARY transferred to cryovials and stored at -80°C. CO:SAMPLE_TYPE Blood (serum) CO:STORAGE_CONDITIONS -80℃ CO:COLLECTION_VIALS Serum Separator Tubes (SST) CO:STORAGE_VIALS cryovials #TREATMENT TR:TREATMENT_SUMMARY No treatment was done to any of the samples prior to profiling #SAMPLEPREP SP:SAMPLEPREP_SUMMARY Samples were prepared using the automated MicroLab STAR® system from Hamilton SP:SAMPLEPREP_SUMMARY Company. Several recovery standards were added prior to the first step in the SP:SAMPLEPREP_SUMMARY extraction process for QC purposes. To remove protein, dissociate small SP:SAMPLEPREP_SUMMARY molecules bound to protein or trapped in the precipitated protein matrix, and to SP:SAMPLEPREP_SUMMARY recover chemically diverse metabolites, proteins were precipitated with methanol SP:SAMPLEPREP_SUMMARY under vigorous shaking for 2 min (Glen Mills GenoGrinder 2000) followed by SP:SAMPLEPREP_SUMMARY centrifugation. The resulting extract was divided into five fractions: two for SP:SAMPLEPREP_SUMMARY analysis by two separate reverse phase (RP)/UPLC-MS/MS methods with positive ion SP:SAMPLEPREP_SUMMARY mode electrospray ionization (ESI), one for analysis by RP/UPLC-MS/MS with SP:SAMPLEPREP_SUMMARY negative ion mode ESI, one for analysis by HILIC/UPLC-MS/MS with negative ion SP:SAMPLEPREP_SUMMARY mode ESI, and one sample was reserved for backup. Samples were placed briefly on SP:SAMPLEPREP_SUMMARY a TurboVap® (Zymark) to remove the organic solvent. The sample extracts were SP:SAMPLEPREP_SUMMARY stored overnight under nitrogen before preparation for analysis. #CHROMATOGRAPHY CH:CHROMATOGRAPHY_SUMMARY Low pH polar CH:CHROMATOGRAPHY_TYPE Reversed phase CH:INSTRUMENT_NAME Waters Acquity CH:COLUMN_NAME Waters Acquity BEH C18 (100 x 2mm, 1.7um) #ANALYSIS AN:ANALYSIS_TYPE MS #MS MS:INSTRUMENT_NAME Thermo Q Exactive Orbitrap MS:INSTRUMENT_TYPE Orbitrap MS:MS_TYPE ESI MS:ION_MODE POSITIVE MS:MS_COMMENTS Proprietary analytical software for integration and peak picking #MS_METABOLITE_DATA MS_METABOLITE_DATA:UNITS raw area counts MS_METABOLITE_DATA_START Samples PAM229_NonInf PAM231_NonInf PAM232_NonInf PAM233_NonInf PAM234_NonInf PAM253_NonInf PAM256_NonInf PAM257_NonInf PAM260_NonInf PAM265_NonInf PAM266_NonInf PAM267_NonInf PAM268_NonInf PAM273_NonInf PAM274_NonInf PAM275_NonInf PAM276_NonInf PAM277_NonInf PAM278_NonInf PAM284_NonInf PAM293_NonInf PAM296_NonInf PAM302_NonInf PAM309_NonInf PAM310_NonInf PAM332_NonInf PAM334_NonInf PAM335_NonInf PAM336_NonInf PAM337_NonInf PAM338_NonInf PAM340_NonInf PAM342_NonInf PAM343_NonInf PAM344_NonInf PAM346_NonInf PAM352_NonInf PAM355_NonInf PAM356_NonInf PAM357_NonInf PAM358_NonInf PAM360_NonInf PAM362_NonInf PAM363_NonInf PAM364_NonInf PAM365_NonInf PAM369_NonInf PAM226_NonInf PAM264_NonInf PAM280_NonInf PAM339_NonInf PAM345_NonInf PAM368_NonInf PAM229_Inf PAM231_Inf PAM232_Inf PAM233_Inf PAM234_Inf PAM253_Inf PAM256_Inf PAM257_Inf PAM260_Inf PAM265_Inf PAM266_Inf PAM267_Inf PAM268_Inf PAM273_Inf PAM274_Inf PAM275_Inf PAM276_Inf PAM277_Inf PAM278_Inf PAM284_Inf PAM293_Inf PAM296_Inf PAM302_Inf PAM309_Inf PAM310_Inf PAM332_Inf PAM334_Inf PAM335_Inf PAM336_Inf PAM337_Inf PAM338_Inf PAM340_Inf PAM342_Inf PAM343_Inf PAM344_Inf PAM346_Inf PAM352_Inf PAM355_Inf PAM356_Inf PAM357_Inf PAM358_Inf PAM360_Inf PAM362_Inf PAM363_Inf PAM364_Inf PAM365_Inf PAM369_Inf PAM226_Inf PAM264_Inf PAM280_Inf PAM339_Inf PAM345_Inf PAM368_Inf Factors Infection:Non-infected Infection:Non-infected Infection:Non-infected Infection:Non-infected Infection:Non-infected Infection:Non-infected Infection:Non-infected Infection:Non-infected Infection:Non-infected Infection:Non-infected Infection:Non-infected Infection:Non-infected Infection:Non-infected Infection:Non-infected Infection:Non-infected Infection:Non-infected Infection:Non-infected Infection:Non-infected Infection:Non-infected Infection:Non-infected Infection:Non-infected Infection:Non-infected Infection:Non-infected Infection:Non-infected Infection:Non-infected Infection:Non-infected Infection:Non-infected Infection:Non-infected Infection:Non-infected Infection:Non-infected Infection:Non-infected Infection:Non-infected Infection:Non-infected Infection:Non-infected Infection:Non-infected Infection:Non-infected Infection:Non-infected Infection:Non-infected Infection:Non-infected Infection:Non-infected Infection:Non-infected Infection:Non-infected Infection:Non-infected Infection:Non-infected Infection:Non-infected Infection:Non-infected Infection:Non-infected Infection:Non-infected Infection:Non-infected Infection:Non-infected Infection:Non-infected Infection:Non-infected Infection:Non-infected Infection:Infected Infection:Infected Infection:Infected Infection:Infected Infection:Infected Infection:Infected Infection:Infected Infection:Infected Infection:Infected Infection:Infected Infection:Infected Infection:Infected Infection:Infected Infection:Infected Infection:Infected Infection:Infected Infection:Infected Infection:Infected Infection:Infected Infection:Infected Infection:Infected Infection:Infected Infection:Infected Infection:Infected Infection:Infected Infection:Infected Infection:Infected Infection:Infected Infection:Infected Infection:Infected Infection:Infected Infection:Infected Infection:Infected Infection:Infected Infection:Infected Infection:Infected Infection:Infected Infection:Infected Infection:Infected Infection:Infected Infection:Infected Infection:Infected Infection:Infected Infection:Infected Infection:Infected Infection:Infected Infection:Infected Infection:Infected Infection:Infected Infection:Infected Infection:Infected Infection:Infected Infection:Infected alanine 1159978240 1582350336 1180939904 1348979968 1448062592 1161436800 1474757504 1369188480 1644336512 1658671872 1321838592 1317055872 1486010368 1229214592 1993581568 1056622912 1814207744 1615575296 1529474304 1286762368 1087902720 1184080640 1576855808 1195660032 909157504 1696522368 1272364800 1622589824 1901720064 1203584640 1589185024 1120187904 1252802560 1070533056 1466731648 988752128 1377422080 1521140736 1467497856 1134883456 1050496960 1290255232 1241188480 1469712768 1027287680 888811776 1748692992 1525203072 1452138496 856315008 1461631488 1583736448 991692736 1398441088 1219542272 1356612096 1213004032 1353832320 857854784 1310197504 1479316224 1206593280 1519707776 963630976 1159657216 1659143680 1096644096 1332204672 1576188544 1546309888 1515552000 1510500864 1593398400 1205335680 1511316864 1546523904 1397364608 1525373824 1236533248 1173786624 932072640 1541386880 1241452416 1266604544 1385094144 1305496704 1444345984 1178901888 1717664512 1565658880 1277891840 1633861248 1549498112 1398823296 1487680768 1427735808 1405291648 1109615744 1606159232 1816503168 1594538240 1415981056 1426257536 1274550144 1536711936 1035666752 asparagine 415698112 511366592 453098208 488017856 449372224 418519008 400480384 467121600 563040512 472928416 590902016 548199296 563230656 511165312 539382144 381904032 676059712 589432256 467978272 493305664 448972800 542514944 474855744 335974336 392175296 562687744 418195360 415742944 619423104 367321312 617551296 528576736 420931424 451566688 471328928 460961248 518200416 679675328 466679584 471112544 397205440 511334336 419701888 541897984 399538176 410048992 500087040 469513088 590298048 308436160 434291872 469208096 350120320 438808992 578345152 666477760 389577408 477167744 366900736 412206848 452076832 383043136 398304864 414368960 649456576 453623968 487923200 402203616 529811328 635706112 666071552 613500224 550838208 490252160 571276160 500902464 441019008 433616544 515798080 443539072 405452608 598053760 396384480 514614720 510545504 469336512 481418656 472062848 536481440 533605376 408152000 612063680 490978880 536605856 489657216 523669216 547637632 408436416 607748096 520103808 679067584 443598208 480847360 428447232 528441600 459113216 aspartate 154806736 129008160 126571040 118566576 89731144 161340944 155360256 210399616 202913984 179216608 182074320 187674448 204965952 174598784 190944096 173461264 146632528 211888896 166887728 190567216 161178896 225371232 234432720 129933712 132258000 127161400 148954864 235405008 154976352 126221720 117937840 117297648 137229360 167806112 148274912 160125456 153899744 141129328 131825560 134027360 141590592 190376800 153974240 178139664 152420256 133822000 185155632 201860032 120880400 140233872 168085392 151592560 163406848 210402288 182655552 153039584 205527648 185646480 141276368 156366048 279387424 214951248 207053440 152374192 181532464 208582848 204216672 167634640 181817904 136694240 163124816 187128048 165324592 172940624 174638320 223830848 126956752 185293888 128795112 181568208 200090640 129139968 178161152 180116768 171086112 231949616 220538768 246200624 166518368 185300336 170274960 146089840 139845968 152743888 214364304 160420448 149117312 163931696 153830400 178351872 135737680 158707616 167429888 209015616 238863872 95195784 hydroxyasparagine** 1172098 1546006 2069854 1506461 1701092 1511249 1447388 1360555 1045335 1857891 2609489 1652989 1525229 1616165 2054357 1388346 1590582 1691066 1785243 1377241 1468172 1264232 994108 1003159 1345297 1217768 1327867 1531622 1041093 1522523 1464833 1441651 1492168 1518860 1350877 1627254 1992902 1633687 2194774 1830035 1475868 1247057 1786155 1759223 1679750 2427697 1181277 1119395 1543175 1560300 1038262 1420506 2124061 1711844 1681475 1750939 1647508 1591064 1333858 1393348 1525979 1264161 1658244 1684197 1958043 1426714 1710299 1623557 1706287 1590117 1298298 1555767 1611743 1708084 1662387 1042351 1639236 1106692 1498402 904310 1410549 1771883 1496658 1128128 1230800 1321143 1369426 1381222 1401565 1902927 1486780 2184549 2174171 1501284 1150606 2016519 1544041 1975471 1879209 1269231 1345700 1730931 1312448 1076087 1482087 1890648 N-acetylasparagine 1723754 732678 1025557 1481636 1479796 818326 522789 1266226 1164660 895789 1066750 1684018 1419610 1768482 846864 667828 1689977 764210 1454405 904162 1705326 1230901 813422 1489082 1078726 1672605 1598623 1783238 1537187 1719519 1604616 1093136 1285483 2185408 2304746 1702556 982247 1963726 1317138 988029 1141422 965165 925819 1387262 1526551 1815950 2470600 781774 1093649 838441 1866755 3290549 746994 1795175 750899 1548443 836062 1368544 813101 487044 1419517 1033092 856694 749180 1231774 1154160 1612939 827977 929304 1817893 1127827 1765541 896914 1813893 1869861 1107277 999169 2014304 1872898 3069512 1133905 828410 1697158 1142044 1188826 978207 1857256 2478771 2905662 1179074 1666242 1672190 1004658 1334952 631021 795638 1157819 1490634 2019633 1363161 1290907 1041205 1310573 1519303 2010691 1141078 N-carbamoylalanine 424278 696063 128670 113727 264095 595693 558769 743222 22916 418710 200838 221909 49869 300025 285712 824111 166909 262874 272369 292901 172443 290115 189966 79077 364740 210971 42967 453132 49154 354671 54344 104934 136336 88177 388963 212997 517033 335302 293804 238801 281821 916724 321119 196800 338710 242583 227296 229179 908647 694369 517087 519182 95426 270441 203201 317940 85748 283148 197742 630178 228630 617263 214597 52984 74917 407982 263171 719336 401224 311087 555490 177769 323932 526819 639574 309935 98810 59323 264031 1349789 375579 creatine 558283328 232486512 153817824 385748704 402488800 290141120 260165904 442524576 171639744 265817760 295099264 412957952 77867064 144790720 341407008 438693568 246231360 330767872 112013672 269508800 203224064 186459664 325806080 279189568 182224208 410055328 336590400 206283648 482133632 258202576 247030880 297196544 223485264 444037216 176979360 156600992 144014512 437081248 83240304 180833680 386803840 284603680 341022400 260112512 456829152 431762624 468306624 242514512 160155776 461594208 524889952 170413856 350974464 684183488 399859264 271757792 381663648 545740032 412581888 189288528 422106912 196612672 294378432 473859072 357073792 123189424 178400784 291450752 392325696 260015408 297447744 152301728 208337184 254938368 245087776 265810688 212334528 198992304 716632704 447836928 374135648 522650656 281166176 125931728 213716560 130027360 129616216 149918928 207140368 163788880 393057952 125081984 136928368 437958144 270237184 611300480 194776256 334746272 167847168 593549376 335273056 240191584 460986816 331692416 273272320 360132448 creatinine 871586176 948102400 1148150272 1043913024 981082112 1153894528 1001088128 955454592 851044736 1395094784 1398120960 1086182528 986021888 1113804928 1563291776 1004621696 1008248832 1246374016 1118167936 1099308544 1175008768 982821120 729057472 922818176 1169626496 1119393280 1020252032 1556524160 987475904 1272324224 1291439360 1072273856 1081486720 1149380224 1039597184 1067403072 1115711104 985669504 1393904000 1215800320 975888832 756721920 1129308800 1319632896 1133633920 1575331072 986577152 999865536 1102663552 971979328 1044433408 863318464 1275204096 965144256 1289115136 1486623616 1394826240 1135928576 1162270080 1199207552 904116608 913340352 1269464704 1114691456 1153196672 873815808 1247422208 1228356992 1106484736 1083210112 1225608448 1293603840 1164768000 1110185984 994204672 1038194944 1317880704 938281216 1223710976 889593216 1272132352 1200402432 1325130880 1051292736 1065141632 942041280 1152842368 928536960 1066282240 1155897216 941554496 1424498560 1229304832 1084697728 612922496 1028415936 1209569536 1004531904 1191566464 1089927296 1044445760 1311985024 905402368 861514432 949046528 968836928 guanidinoacetate 1185952 1365403 1413275 2216415 1489340 871519 914832 2290968 1174305 961170 3147414 1331098 1633605 1399100 969667 427990 1559130 695881 845971 922840 993853 1473645 1829898 867445 1731888 340286 1412358 1458852 1121698 1595614 1181140 1163505 1950890 558789 615644 1414384 1184900 602931 913915 757128 760005 756289 1578905 1252715 1160182 1971877 782420 2152805 1491149 908150 597479 536821 705609 984185 2168087 1368585 1125449 1103365 1135565 1038970 946759 484291 666885 1432646 556175 575019 712888 437009 993228 1122581 1562029 732116 1272279 1423406 809079 1481901 802322 700542 663602 1036262 1484261 1844735 778678 1344439 1076639 1020671 732058 2761366 1586501 696837 1291768 904746 1911556 394294 750997 1297882 1538097 1756926 1397664 1831882 1162603 897071 517884 1002254 970916 4-hydroxyglutamate 281445 582920 467638 319902 244490 181640 333800 380139 232614 375933 231513 303910 208745 291695 400441 144844 315711 158466 270055 158027 514955 252085 256313 287303 56232 165161 191779 336659 200136 68309 224853 127881 329181 195660 548177 382656 370147 211173 145320 158214 283987 271688 205011 1034152 179264 169988 371932 144476 285114 286294 294729 529313 524514 475785 457785 370480 363958 161365 381550 269961 195122 409431 381859 423391 246952 887133 183566 263447 473802 512388 164568 257766 232457 631623 61222 538882 278163 195643 164954 199897 234321 316694 451670 412651 196287 502843 151265 162066 340283 201359 206710 246641 603492 132256 202961 273109 405114 126198 carboxyethyl-GABA 523075 524582 412143 133286 433331 691029 443022 744020 849537 230696 363703 741249 745341 545330 316792 428399 284236 374620 583226 317334 429628 314392 120052 840036 1310181 752021 280380 214571 737445 481034 642316 451056 528630 608903 659196 102603 659605 597283 379186 663096 352718 533841 619116 164089 720490 714617 481921 524998 591334 798399 121063 528592 489534 716767 542275 582858 158156 519212 574057 796289 411659 374373 473142 93730 857563 102207 419116 412520 543361 460311 536243 546237 453490 689964 374328 657648 545431 985782 741130 604590 666913 523366 517830 250805 467886 699357 630732 557444 558509 395170 527672 387651 637057 654854 glutamate 537094848 499410688 534744736 382308736 335540512 807380736 703079424 882953856 947620032 1022711936 962336832 837715968 760550208 761051904 849531200 783879040 601679808 762672960 573882048 999615680 876983808 1099960320 1331532544 598104384 491098912 866670592 695402304 1225041280 695007488 520955840 518896832 395732000 467624384 634343296 628791680 1037619392 861515520 751687168 472190240 565297088 598040448 903787584 768044032 1013373952 707521152 679611008 993257344 888670144 627048576 372210496 685367936 612502400 789785728 806404864 730585536 801629952 1190738304 1169934976 887813824 811141696 1560979712 1004557632 1279774464 810201472 1094264704 953057600 1198881920 765162624 1443224576 975313920 1054122304 1107081216 744497600 1024350080 1048013056 1005418816 536842016 1343323776 783319424 998990464 1540136576 841839808 992537728 904507456 877162432 1316584064 1151078272 1528969216 1308578688 1383635840 1016302656 999739712 824009344 864363712 710943616 1072636032 982106560 1077889920 972605952 927448832 751541888 731032256 997976064 1110340736 1615721344 442237216 glutamine 3138036224 5191149056 3926644480 3763913984 4700591616 4236504576 3897612288 3050500608 5076072960 3643856128 3959760128 4086744064 4988428800 3609352704 5352060416 3325330432 4497024512 6073135104 5292899328 3945948672 4777294336 3577330176 3044454400 4372331520 3869913856 3918345984 3612487680 5275002880 4049349632 4058757888 4595941888 3799308032 3482105088 3717831168 4330441728 4194745600 4494798336 4971888128 3484476416 3977553920 4212532480 3044246272 4401795584 4687444992 3303557120 3551526144 3972555264 3857378816 3657554688 3758649600 4750260736 4261375744 3285429248 3151887360 4322296832 4398916096 3111469056 3317063680 3674283008 4125685248 3070852864 3900977920 3562315776 3420972544 4371781120 4198502400 3559707904 3457172480 3899392256 4219335936 4693156352 4388116480 4475898368 4203361792 4132154368 2758430208 3512564224 4290442240 3348511744 3069380864 3695552512 3401561088 3733707264 3949622784 3719034880 4013140224 3783325440 3537862912 3797366784 4275194880 3465035264 3454046720 4148135936 3743346688 2368104192 3493571840 4723357184 3460480768 3198078464 3778918144 4716108288 3670499584 4083003648 3961642240 3547284480 2980001792 N-acetylglutamate 1131354 484254 881162 199960 567122 735724 813392 467643 1045116 861484 558014 520300 795600 358815 637803 656829 474194 803149 697685 493224 692364 456079 958407 177787 321129 749874 624481 513915 557185 464499 477511 568668 527085 413906 654170 980190 1159838 922035 546354 557486 347488 542290 724173 890627 370361 598611 608534 1313768 457390 425259 288502 652611 1251132 460603 705006 732426 498807 356772 594376 877843 648842 542414 540456 449151 746776 339887 487352 311618 312884 290159 473482 557401 678803 562568 801813 685650 773041 562216 748448 483572 1926821 342501 589960 937183 999382 313397 975959 275419 381990 363842 998577 374412 672733 1117752 485957 654937 416957 542671 501162 708013 518321 147485 584824 707105 N-acetylglutamine 834283 687834 947158 1088098 1131189 552948 612976 574848 1532522 694127 666044 954114 894484 965857 794325 649055 1318618 1462353 1623294 694110 1176136 757818 648871 1076617 678536 1185275 1021054 1493058 616490 765315 726961 663693 682207 956060 1213870 984353 583383 1132289 934863 379236 1055932 669425 603406 1068887 789167 647710 1347619 669833 729225 658731 1781490 1160333 622012 1073987 385303 821198 525551 959583 555733 582826 810326 1091855 567616 344200 569745 976428 394429 669735 991108 863121 591779 830754 659238 1218858 975081 877256 992151 1949449 965422 1744772 507057 612515 779511 732326 614761 639102 908142 1039652 932325 344330 817430 489228 741958 530669 548506 340754 1227625 893734 531387 896860 1011425 693216 844443 1064376 535082 682501 pyroglutamine* 17805506 25721746 63769388 16179958 18616710 12570099 25177170 16855608 22403614 43271540 34195916 23133658 21337560 53818592 37231252 10476702 15983448 12962581 33474224 53452536 35194076 31870640 22956654 20521478 23228256 25592490 19329022 24466232 10296058 20435982 33050298 36801268 33488774 15358673 36467436 44152640 28756462 20948938 21692364 34260288 16475403 19910056 12816241 30613764 38903356 48239036 19571008 18041324 47970140 12746340 21852084 44878732 30572540 10089235 23384486 62467244 17168808 21038992 17797836 26843872 9647006 17938166 28726698 13228870 15060085 26855308 53236508 38369784 14959649 21621650 12022702 36907724 61763076 20123324 35995716 12396264 34703112 17407338 31684924 13623922 34408652 16809020 23645964 23298040 34052660 38304360 19019928 25877488 42146724 41613552 23658672 33917844 37281236 17601394 7826677 9411780 23204450 24194464 38650576 18922750 29942512 57212100 8903563 15785035 33529566 19078422 S-1-pyrroline-5-carboxylate 2647051 831622 2689387 3260447 3796224 5470371 2579273 2424357 1776580 2226538 3387894 2413453 2142987 2104749 3336587 1978855 1248030 4083329 2803791 2090796 3378285 4051927 3587912 1803770 1359600 3105305 2276563 3001425 2652686 2647051 4114245 2457929 3901518 4636191 2049953 4244208 6562877 2394228 5705429 1882978 3731308 2712467 2681927 2145347 2600493 3298654 2656255 506674 1951458 4302376 2261465 1182666 3194794 3320284 3864760 3750722 3192431 1251601 2671893 3641359 1725426 2117323 2184116 2296447 2721367 2145709 2384508 3726110 3671303 4013667 1937981 2314985 2530728 1320046 3464548 3073663 1806702 3996279 2849844 3193923 2163185 4242219 2077526 1641438 1560242 2126672 2822810 2927717 4932901 2105752 3062440 4542637 2914323 1410291 3654167 2541676 4015545 1778152 3070124 3509727 3875240 5048882 2-aminobutyrate 58267464 38386124 41227192 48453220 84224240 48650004 51659008 51894080 57147924 59432428 83664096 74676344 22921914 51804424 55113004 52438904 107413792 56075908 56510612 83404720 56232928 58174172 49579664 57775896 49777644 78700328 40739560 47116400 85045984 58154668 44616868 47401936 34128764 74700680 74796432 59206108 41204912 81647856 39346908 42657820 40130000 47160884 57723604 101058968 102265960 81738208 56126348 59842916 55809436 33153150 72017816 73220016 79676904 135702144 73679472 54462984 55628524 95452640 115278704 51657716 38442380 73639560 100125528 61016920 70699232 69467928 68037584 56563672 81294840 69155952 75277112 76941680 72696280 45050304 58648320 57789880 69175704 52688844 54945160 65960552 130489552 58145532 51258072 47961288 53518624 36799116 57488368 97722568 82361360 47150400 70275608 83149368 40189300 59516172 36091256 91002400 59647480 60806312 50552916 67391104 86871600 102644928 39478576 57370848 89500672 63885588 cys-gly, oxidized 1656635 3638181 6288343 1820464 2448070 1857769 3178700 2861692 1942447 3328257 2325733 3295217 5421332 1714900 4103447 2588657 2369490 1686838 2610139 1982675 1917292 1447340 1424655 6358864 1625758 2668548 1458751 3210179 2640318 4544095 2536353 2447926 2153976 2678289 2422646 2733167 2947787 1771186 1550513 1380030 2605784 1683547 2161847 2709860 1757485 1713490 2337426 2297021 3735073 2137096 2581739 2553800 3205917 1647587 3232511 4162243 2266935 2328434 2189609 3687480 2182559 1715106 4294238 1755794 3132850 4473504 2192475 4221099 4143837 3054087 2289150 3215860 4797308 2990611 2354956 2621764 1642697 4926163 2702842 237985 2754057 2035086 3406012 1956761 1899848 1667812 1990119 1862927 3320827 2669992 1869544 2290806 2083484 2768701 1622314 2595048 1345707 2197121 1048657 2306942 1734948 3585120 2076751 3809829 2266532 1384808 cysteine-glutathione disulfide 361438 467595 617342 147174 407238 139255 81266 171578 281774 484082 77738 544490 255336 242499 593780 298621 261911 113764 463961 252258 643905 601957 398084 139391 364272 592909 447769 306295 570656 258135 551629 684720 139938 637686 549900 216605 596961 169474 660217 901079 304872 566002 1337126 110438 365797 306298 263738 602261 90981 360809 433834 264034 69751 697515 788566 629614 304525 178808 325379 395362 536209 967616 505506 963625 716192 283013 644226 131558 258779 cysteinylglycine 2842486 3813318 4851669 2385768 3433009 1935421 3586270 3908929 4117481 4191381 2278751 2586660 3339347 3538323 5604363 4637464 5555510 3266520 1899910 2797582 2356179 2789905 1539537 2765834 1004420 2936459 1752691 4131099 3330273 2750101 2968412 2533585 1734684 4150862 2304411 3913164 2866800 2562649 3250245 2122319 1822002 2309524 2657285 2804325 2019193 2403450 3480847 3122173 3447578 2355648 2558422 2809798 2808853 2825869 3016832 3604223 3187317 3572472 2261323 4243686 7222653 3612747 4152554 3062140 2248619 3261554 2603486 3488961 4474462 4418707 2168588 2286600 2630927 1758773 2662154 1953612 2290488 3256546 3014856 826488 2757272 2852632 3487803 2015946 2176323 1875765 4020586 2370541 4304532 2565497 1886393 2083400 2659620 2803502 2844159 2360323 1820024 1297538 1189677 2766834 1496228 2984003 2462640 3744738 3204805 1730240 cysteinylglycine disulfide* 37884112 56879936 91982392 36754716 57192172 39279064 58546864 41998808 42431984 72326872 53319328 47395408 58422608 38422000 87010040 53349276 54244768 48000592 59627088 40230500 49828332 34921420 35960640 71194152 39841008 43716692 43083672 67727200 55467976 77967464 62179508 59162308 39702504 64023372 42726628 54152008 61766908 36941816 42693088 39002668 57712008 41452048 50526876 62014948 43575240 52185388 52797764 56746228 55137732 43120808 59367768 59788284 72152536 30742556 58589624 67679328 46760808 43294728 46326192 41448308 38679640 39942660 70791704 41828940 60803212 61898628 59858148 65763308 56826056 77439688 60050176 55530448 77322536 53402788 45243844 49893504 46416452 50642904 47434736 17878342 65876352 40361980 56327664 40113748 36442292 36214644 37035256 30259002 67569344 44579644 37376516 44806272 45184316 40328608 31982782 49492536 36023116 51566044 38077388 47114196 49752256 71887384 47829992 51362312 48542828 36331644 betaine 685306496 1699195904 1149667456 2319558656 1094182528 2299730176 1755363200 1787052544 1735740800 1613612160 2387337984 1747776256 1974819072 1935977856 1987835520 2742373120 1678284160 1672034560 2314775808 1872162176 880976896 2428702208 1334096128 2166313216 1747596544 1874302336 2546790656 2337851136 2048395904 2180470528 2376208896 2342454528 2085862272 1886902784 1740926080 1762690688 1602409344 2287397120 1823520640 1847616128 2311926784 2347322880 1244194944 1917280768 1468870656 2243399168 1938450944 2285021952 1564372992 1563947520 3205426688 1978067712 1811463424 1395003904 1964265984 1622902528 2418272256 1373910528 2027771904 1376186752 2026463232 1756495616 1635509760 1943986048 1997446272 1806154752 2146753920 1354776576 3522025216 1508529280 1726690816 3064134912 2099008000 1141346304 3029742592 1975983232 1872142464 1816939136 1516803328 2176752128 1495441920 1721696000 2197950976 2306723840 2186856704 1639999488 2623399680 2131092352 1838135808 1956392448 2106653312 1886223360 1632886528 1604166784 2177306880 1034424512 2227637504 1809797760 2179060992 2599006720 1929644544 1446884480 1876540032 3441136896 1458700800 2003951872 dimethylglycine 28510168 41252536 46681052 59289512 51480564 84634080 36647984 62858316 57386992 36675112 43073908 36682428 49881020 34801952 49140200 45386572 31792268 37322972 40569248 51369740 52766160 35316868 23813732 48151620 38655168 48783540 58025240 47455584 38230524 57754192 55964668 73865720 34788448 58377504 39950140 47158572 45018680 59472780 57775472 44406044 116498672 185350672 42879256 66195600 39867420 91807648 44359792 36962140 24537782 50395784 63863860 62588052 76928136 50768848 36874624 53461720 78073736 59144148 127153240 58775160 72465704 47436400 37788828 57828328 42835984 65868516 39597680 64500760 58893568 33156826 32077446 54175444 69682088 49106412 40689636 29355136 45921000 45658320 52104324 69866080 49719708 77645512 52789864 45355516 55787144 34755484 66975324 42378640 47555844 49948320 49243344 67430912 48611412 125030832 142814768 52283716 59267424 44525768 60404248 49882880 52843696 27655260 45847632 57729696 61642936 81639888 glycine 264156688 387744736 233334080 276523072 220614224 268031936 249661792 280320064 290779936 229141136 259666032 288286944 305265344 325774784 386638752 206065824 294363296 454561312 291342976 338967808 406028224 308724864 268645472 186264336 270972512 245330128 324718976 330382240 357915744 304713600 360207520 278593952 259398176 281838208 336055296 309611424 300412960 279721280 384080000 273168576 298533632 227565680 266765520 362218272 215915008 297410496 294092736 240559808 301200480 219291312 216199344 322731584 198988096 222486976 315521760 273545024 251213856 266165488 219761024 280362208 336379360 252231456 210527376 228559536 281447680 237347184 305514848 262779360 237631216 331491584 428496704 311970976 260156880 342529024 335122336 233297072 269895136 270082560 269452000 255272160 245306864 243965200 341900512 294378752 354211776 346293056 304787776 304221312 273594784 297943968 202621600 421549248 279196384 275867744 222080080 224486480 335264768 257392992 291560608 333852672 261579552 235556768 297781088 245688112 319393472 199938960 N-acetylglycine 10051970 12845731 8812583 10493473 14256758 11476880 9221500 8558024 10960439 6738941 17426970 7932454 13034624 14935215 8847918 9020753 10410624 19554916 5411139 14573264 35633872 9514926 6902593 11298611 16002379 7088289 8473718 8719821 19474882 19137744 10349584 19730958 11707906 17115742 9699426 25328050 8282721 8445359 19923792 12901438 12457631 7255049 15092305 13671996 14592912 23723122 13992169 7266173 9361978 10182939 14136137 10757181 12862190 7988851 13537761 7216848 13068589 16707860 27528456 20395790 12050186 18943396 11217787 27744572 8325774 8471130 8313291 10897763 10731569 11032208 15624648 5795244 11253295 21214412 8416923 6827700 16750599 11836117 8858381 11019732 28570628 8216201 20430076 10700778 7484913 9915750 11881822 20908336 7269259 8338605 7756511 25305066 6495825 11215025 6310331 6548652 8759725 15957912 12274540 11693428 7138480 8366077 5290006 20272862 14289976 12325376 sarcosine 21345574 4924387 6796596 6149918 5629019 6406191 10986574 7900318 8227030 4909183 6011694 5583659 6689618 6359635 6889358 8607249 8631637 6856640 7580540 9292363 5166033 4768680 4515954 4970542 5257743 8181438 10224075 7898820 22052860 5163915 11116949 13872994 4987113 5639169 8009922 8130957 4590470 9496694 6865781 8153349 5956096 8146052 5872323 11168898 4610888 7125713 4638982 6006386 4449082 8814665 6706487 8806798 4923709 22825894 3945832 10822229 6132791 6524603 8403779 7384580 10277499 7585176 5054659 4696252 8578186 9001720 7185129 4972559 8669483 6392424 6428494 9289351 14524419 5143860 6442114 6436697 4388501 5176077 4990366 7984804 4885281 15332525 5419377 6850581 12070072 5194466 5914872 10310929 5826173 5459336 8287307 7187350 7446201 8717488 6076298 5874531 11932102 4255451 9632052 12211014 7914750 4164946 14872633 5585896 8588517 7261283 serine 287452896 328155936 300193568 312964288 270531904 316043808 307597632 425247040 450254848 295187808 369407104 399618240 477343296 357445888 469909632 313309056 403770272 484004960 390598688 390761536 386604480 407558464 383257504 307920384 311720832 398615232 417368032 556055744 451204704 350076640 444300544 360901568 319077952 373303392 382721440 475933568 346549088 419897728 375051712 323597248 445119456 383920352 378384000 364268224 328992416 484067040 399801408 328058208 342029536 338719488 405037632 370232704 322703392 341853312 425419904 379948448 366205792 328927840 347962752 355041888 456374560 383945536 345649280 349011936 423392608 455153376 416430208 335277824 453234048 390523104 464921376 441551008 348087488 464068992 425817344 372841792 276976416 411798624 315217568 374601216 485164064 322313536 403815456 430135520 399070272 416972064 417485888 453876320 486750976 384023520 276845440 484543584 333938720 404697088 354185568 346349024 375752224 394118240 444140288 406183648 355790016 366701376 365084672 399961056 393711488 291915008 threonine 527205632 530756480 516081248 868886016 575501376 880452608 549297472 749347648 756354752 511961568 792728704 786330176 796249856 727092672 976214400 452724992 967002240 861319680 694036864 781914368 684860672 685509760 615661824 556581888 501697824 946157760 558171776 804487360 847272128 566310272 645879744 728608000 453210272 619979904 698325696 837718464 980288384 949847232 566620160 614230848 817731648 543429952 672619776 861490816 518210944 949535872 603371200 999807232 1025049024 333534336 423629984 687165696 412562112 661040768 797845248 1022932352 706430848 569522624 744224640 555240640 876203840 785864960 576631360 557745216 744087616 788078080 948083840 670809408 805072832 957945280 1009831232 1211949568 649099840 742014784 736217344 515351328 604057856 663958976 757370304 437120416 811532608 639377280 539269632 663198400 701579968 754565376 599169024 728394496 1120789632 889843840 573216128 902846912 869740736 1057255808 416643232 1042761152 750918016 598225984 1118574464 724209216 1216989440 1053031680 730339456 466576576 648135296 548839808 4-guanidinobutanoate 8640780 5684532 3022705 6509474 3896576 4624682 8017296 4741779 8697939 14066325 5978075 6024356 5601554 4350361 3474691 3487541 4052740 1319353 17624988 9261893 928454 2090945 2325634 1070124 16549639 1479888 5637825 3517015 5179858 1402565 1902147 1199446 1842734 1872129 2136534 2119234 1197446 3766266 1557653 1761775 2210008 4659457 3423826 2711577 1984608 16280977 19699246 1307260 4982265 1423043 1099399 2147091 1753740 1222159 2860718 2596593 1399431 2248450 1440547 2780829 3447003 2383271 575497 2119550 3650785 1110387 3968265 1270299 4859238 1646760 2637400 1804819 11054928 3404535 2653542 3664843 2465071 2063792 2133791 1610262 7469190 2896177 2327713 4307550 3993078 4587470 913544 3174997 10054142 4083132 1-methyl-4-imidazoleacetate 18194536 8782669 10089674 6905000 13070625 7083480 5845238 7706726 5663023 8059789 10662230 4808905 8264288 4927974 6019928 4624450 4420076 4051698 2795382 5236081 3298402 4833304 8679502 5183900 4080495 5692232 3713897 3909345 4148981 3039815 4069983 3714210 4854414 4367259 15055279 3408426 4253209 5677912 8165661 4629371 5291516 5593944 5608377 12888041 3963551 7783556 6099571 11836440 8097370 3536087 4089374 8525712 7100326 7172801 5838237 7007364 8230896 7306128 6291462 5088935 10040761 5612718 3630674 8101213 5981386 4482552 5592724 5259983 5714961 5385249 10860479 7314796 5092239 2972432 5901086 3790349 4987202 5261744 7152417 5567409 5802025 7219628 3597663 6767249 6525575 2872331 3174709 6261738 2826909 5356219 6412781 7908064 4510785 10654002 4688038 6107596 5726550 3539929 5629122 7862675 5364789 5792778 3696473 3721145 12690794 6370911 1-methyl-5-imidazoleacetate 85056 314904 362562 127610 152635 235980 445589 175267 222539 89941 101453 159010 422169 189698 177559 225461 148734 256961 216560 636701 338806 416627 102553 400825 259968 729048 304486 226132 414668 275342 401655 287446 156192 140314 442726 262022 251569 518292 184085 204136 289750 278024 380086 509653 87872 468826 76580 164327 532112 262650 113208 363952 443344 291297 148205 128897 607476 256351 865215 605335 191899 115638 227678 221697 223084 443038 1-methylhistidine 19264424 19140508 28709994 19806014 27342100 23406306 25662316 20700220 18017026 32607602 49042028 23719642 24219410 25466152 46034928 19876218 19896404 37873304 18144182 26606118 21420578 21612912 12196811 17542810 14372165 20519938 11127267 32250472 18020166 25873926 28535098 18812826 13623944 24274698 19476272 25338884 23715510 24615698 32490666 25757812 14387846 13212333 23407690 30938586 33828612 38437388 17497932 12905887 25580072 23871380 17205754 21208002 35849356 29687114 26225676 32727110 22300062 25869854 22265660 21940336 18480178 16838822 28761272 24818772 35033620 18428148 24814598 36070404 22057656 29049952 29807570 18966274 32571696 17895542 14597854 12711774 23865514 17024404 29374738 17004428 28742566 27478420 22826634 17516464 7888398 21193488 22595050 21186538 24157470 20432448 52673988 25612612 21730848 18675452 21146614 22990170 23140956 27848742 20943302 23063272 27356782 17601932 15269519 21411934 32768808 1-ribosyl-imidazoleacetate* 17814380 2158822 3893468 2259453 3020074 1837530 2071645 2162845 3758330 10007736 3038551 1682195 3390397 1629410 2200244 4516790 1804997 1779003 1892688 5196921 2505685 3535245 3143245 1935222 2020156 2432929 1951927 1655898 2105489 1529162 3986428 2364417 4533578 1607928 6088797 1552093 1895521 8519063 5607076 2108826 2563339 2778888 1522045 13780767 4272084 5195713 3489766 2085064 3961651 2014188 1775941 4135750 4353586 2222630 1684087 2805468 1962062 4435699 1234022 1910014 2485250 4001848 3785431 2715000 4656480 2338191 1885370 3326212 4226835 3879815 2139435 2428648 6607083 947935 2123584 1685704 1605989 4123286 3778221 2255564 2465655 2727203 1299511 5266821 4171805 2291554 1580787 3720146 2456152 3026484 11024815 4755874 3236465 2297075 1332456 1779367 6505952 2143663 3613200 2037252 2497619 2271021 3279054 2657173 3451649 2907921 3-methylhistidine 54171432 57883204 102393888 58425092 73917184 67971984 82045776 58285148 59375776 88355504 126192528 69674280 76449144 72236736 130359744 61102220 69907248 103369568 66759760 72462280 67984256 73812344 47416460 50421832 52597840 60080736 31249266 79752984 59208804 76134104 86505576 64080152 52021612 64425732 67759024 77356848 79186600 83291656 127453808 86452024 62869220 42108948 70893608 86274744 101881224 108024792 57209412 40477788 76940632 67249336 57358356 61050244 99253920 77859832 79763912 102205712 71372240 90446064 60643004 80792216 62723420 52040320 85088664 74537048 85403608 59575724 77316232 79940744 63335140 77321480 73321592 56778664 80150960 65220904 5354370 44967136 76044840 54171868 254771520 48030672 83074984 147591408 64054792 67306944 58467704 49839732 70117832 62951160 64182252 71715624 58898572 127096008 85627096 78517296 161085552 81907768 79395064 69878744 98965928 161214720 55350908 9166052 55205948 43312960 81098712 99716336 4-imidazoleacetate 19201692 2222025 3468526 1918466 2969118 1784765 1491220 2062247 3982889 4845180 3238260 915027 2770068 1777549 1948954 4100179 1521259 1226928 1237204 5742922 1474520 2037130 2574673 967303 1396182 1945942 1668465 867180 1432872 699200 2204138 1497219 2540147 661881 2737978 1747343 1242038 2294985 2019438 1115258 2512495 1795634 884235 4311020 742952 2368957 1795198 2711118 2515552 1059564 890581 2653378 1913785 2343238 2098477 3196267 1291902 3143697 1251789 1590935 1982484 2755512 1914389 1424448 2956533 1819420 2215948 1767989 2305768 2437698 2080226 1534387 3473647 271104 1347235 914368 1030795 1516213 2514371 2531320 1342917 1897346 931504 2135815 2260022 1760957 1061219 1469107 1485595 1771733 2922707 2246514 1342773 2034739 1828709 1158527 3055073 700427 2621715 1398602 1901657 1427423 2109628 1201773 2468677 1248478 formiminoglutamate 1907559 375673 1012371 106520 2243555 721410 950616 734686 2189061 1277524 557033 1032174 445048 1008679 798142 1428987 1082878 791866 124899 1385227 402876 154155 158162 301224 355198 238835 477591 1031782 969015 3044118 613430 1716695 1473348 476352 638717 849485 702405 102036 564585 1203359 663189 1648721 976163 4166637 678580 1757176 928452 673117 830319 370008 695862 1862671 796176 574445 1640032 837628 1107733 243581 551538 605963 630287 807037 416431 3433097 218842 402156 868896 4599736 1400178 790953 172977 704613 667444 193499 2121551 1189325 536448 2415001 1016948 527332 3207861 979798 518905 2978739 1582283 90242 399763 427441 2002428 1053844 imidazole lactate 9861882 5415270 11475623 9015619 7124841 8176037 6443952 4329804 4319333 6022311 9573430 5127422 9214003 6539253 8368895 7236352 5509755 4445062 6970202 6169495 7051892 4999223 3039883 4151637 8703621 4050045 6245664 5936838 5315573 6820682 9215605 9294589 4641869 6679397 5779459 6049845 3610428 5585522 10920134 3640583 4777601 3683811 5580786 6293378 5980825 18687018 3969215 6349100 7134932 4085962 5254213 6784355 7921454 6948770 6030534 13101454 12338997 7146536 8214059 7674129 4545017 4345663 6109424 6041670 4929212 8151797 7425955 8644641 8930072 5570659 3553990 8354493 4374509 6489018 4958490 3636853 13458912 4024654 5822176 6565566 5242173 6229164 6617933 6558005 9193085 2700544 5145157 5063884 7221785 4261882 5283827 13262696 4156344 3901598 2890683 5835881 4931733 5894344 9511114 4311957 7185310 8902140 3603918 4703729 5446422 5939478 imidazole propionate 1421399 1880578 1153264 36788 861955 696230 1136084 1219904 1955257 1586817 982900 7093783 2494761 613054 1095597 1480442 1673272 639742 907990 1807103 1637489 1669918 760956 1702364 7348294 2431550 1421375 434773 1581948 1173398 6190913 917879 18308386 1658715 1271476 7128303 1698618 1566644 2670798 853827 1748381 1038599 3048137 5511981 2612302 674428 527481 954884 854134 1397437 899614 3654351 473699 6106791 1055207 1498764 3122791 5976244 488846 1028040 4140374 862138 248860 10971210 623586 577693 2825054 1438296 1289358 741166 448071 13422106 4383807 646072 2998193 1512874 332193 1953905 1295182 12759641 1337152 5281041 3403739 5525358 1283329 8026147 3669620 801024 715224 N-acetyl-1-methylhistidine* 31808 76226 37395 49684 71855 176643 86961 26481 145903 156411 296161 63916 45382 113556 78732 62474 50975 63525 162460 144118 154441 145743 119424 N-acetylhistidine 1315331 941702 932984 1224461 1457267 499707 558284 1256115 1391233 727165 1317795 980722 1126781 398448 543253 902876 759566 651748 255739 588181 810970 978910 949389 916426 662211 960086 1091856 686545 1090711 505356 692191 820400 217887 646042 1197683 735000 419218 955035 1028400 909959 872409 1261517 760220 598285 818824 1270426 1811035 222276 440488 615184 1287243 2145790 767006 1127447 714285 1176149 1394469 1058827 500572 474196 1540563 1253949 554082 691573 1132853 582073 265574 537315 922253 765958 365378 255830 805558 481903 948599 816790 844605 1355412 1617612 1258352 744239 1054983 719259 393971 980644 213104 387612 1199933 935637 291631 758541 810734 1007508 745528 792731 519938 651009 567082 406906 1109631 437455 424473 499601 1250627 1542175 903357 trans-urocanate 7903035 9215616 4325600 2117301 6795247 6547017 3689077 2784541 4457760 2601603 9153871 6766711 3665732 4161070 7187876 4376466 10648957 6833327 3972018 5337249 4223996 3063624 3291278 3347565 2684577 2389559 2991332 4148670 826225 3675538 4802904 5272224 2701642 5493171 3237224 4259977 3331779 6703402 2883480 3605746 2127747 3443254 8058096 7670827 4903414 6259552 10364705 6577967 2103177 4766755 11610307 4135950 10902863 14086778 4238129 4158932 2577155 8561655 6283335 5458810 2828491 5975042 3625733 4000294 7839168 2321960 3566176 4494127 5765000 7984055 3266001 4666385 5354424 7083604 3075584 6502746 5545457 3681731 3454472 3493887 3905543 8557294 5881859 4294726 6991463 3325833 7719487 3671751 3813041 2735101 8629439 2644334 3925430 3842461 10355229 6569394 6000806 5956482 10207104 3946189 6846479 5272567 3417537 5964761 4439665 6754459 2-methylbutyrylcarnitine (C5) 1601156 1449694 2827381 782482 2236817 3013760 2246184 1817064 2128328 3229913 3865904 1865219 2766147 1911931 3135609 3693965 2277821 2239179 3265028 1980654 2067264 1772135 1458456 1920737 2027424 1867954 1060709 2389909 1731485 1964326 1225510 1487449 1459190 1570588 3091399 1605757 2617477 4396126 2842857 1633369 1689152 2172409 1735882 910380 2312186 3721565 2461561 1709215 2605599 1669530 886404 2096324 2428215 3356823 3471733 3392358 2429523 1855895 2371872 2027805 1812632 1775545 2791427 1699171 2784821 2768449 3105525 2304105 3208672 1920562 1516926 3266437 2927314 1320878 1805004 1746746 1885134 1400429 2681425 1743694 2392546 3425073 1774531 1028348 1475508 1085479 1788695 2045248 3546608 2510401 1709379 3426562 2511370 2482533 1550230 4343152 1185829 1234308 2399586 2188311 2056239 3616672 1552671 898918 2253825 2164270 isobutyrylcarnitine (C4) 5367626 6474638 19677536 4648915 14646327 11121396 13209314 11230678 9691344 20213396 20702766 4568536 25859002 14280373 22652148 47508112 16824562 19115726 28686752 9797225 28443356 12755863 10935707 10777745 24994210 20287980 7420495 35374832 14264165 13047325 9576409 7629841 9406920 9068991 23081106 11285769 29831986 24470254 16566757 14123051 10020769 11710319 7727324 3510404 7891180 40047168 19433940 8789734 16964430 11698069 3297068 14312463 13943815 12306464 12412192 21958186 6980057 15031007 6777800 9460291 6504810 11734151 12453675 3468305 18895980 16184918 28472364 26647302 32187646 20426594 12439609 28030194 11151058 8492395 13386148 10591916 12279047 7799440 15389787 9736227 18796504 26541958 17876096 6933954 12108072 5358476 9023622 10449068 22050878 17468666 16334126 26266566 23248086 8414318 8141088 28549488 3950668 4914288 25858398 14069223 11261356 20829772 18560440 4184812 18281656 13791885 isoleucine 1033716992 1403453440 1101756544 944259712 1003847040 1152512640 1052253056 1260567296 1110244224 1144337536 1479387904 1243184256 1270911104 1193475584 1026925952 1160078464 1138917376 973781056 705880768 1098591232 1160373760 1086959360 1227204224 1128751104 1116723200 1188001920 850756992 1102336768 1227256448 1282291712 1101929472 891617664 887942208 1116310912 1005136000 1164889728 1016768064 1311500288 807197248 982253696 962119168 998205568 1088367616 1149743488 1237051264 1061243392 1082892800 921493312 1391603328 759309632 1390733184 1274741632 930427712 1241124992 1417516416 1579535488 1152101632 986787904 1377237248 989309056 1005000064 1045569984 1107146752 1127611904 1291627136 950067584 975088128 1038867136 1264698624 933664896 1172257920 974610624 1078444032 1168790784 1411023104 1198990976 1115836032 1169676032 1178319616 755556800 1441299968 1140433152 1339738880 975658688 909756736 1157641216 1287276416 1229822848 1548322176 961720128 815482880 821950016 918226688 1375281152 765715392 1181961600 1133915008 855073472 995071424 1178652288 1199388032 1258436096 611330880 1244302848 1549037440 719979904 isovalerylcarnitine (C5) 5694642 4702705 5132550 4043894 3071476 8879955 4456596 6374738 5643159 8613348 7170947 4107031 4799342 4590018 10803081 6153690 8711998 7583018 5578698 6459241 4254171 5560790 2492656 3216769 4827278 7707449 2456362 6833911 5211229 5146077 6148389 8741359 6382989 9223018 11281858 7400692 7327994 12130320 6533659 6310067 4672964 7746946 5101711 2834553 6042998 8613107 9982026 4427964 12780853 4054412 2116138 9873311 7722299 15433811 10806333 8847937 6798861 6951052 4484908 3739771 6433506 4816387 9013511 5718469 4639779 5409395 8793346 8246903 11510570 12474928 7151237 7865851 8429472 6081569 5624008 5175250 4541067 2452686 7378126 3791651 8758665 10057055 5003917 3530774 9965045 3871546 7764369 9520588 9736712 7077655 7698469 9472575 10556130 4251659 11806663 13287461 1854332 7065100 11348804 7251498 6537497 21063078 5274898 2633273 4946498 7514141 leucine 1283330688 1757128960 1688102912 1600926464 1230878336 1723598848 1427753984 1834506240 1557886336 1669476480 2264896000 1527894656 1201871104 1216777344 1753836800 1633480064 1827375232 1125717504 1428190976 1557796480 1778123392 1931710592 1425587456 1436634112 1235960832 1738472704 1194380416 1396988416 1971956352 1484479488 2300524288 1572507776 1689746304 2094617600 2530056192 2339948032 2133599360 2349815040 1875013248 1621674368 1393412608 1476489216 1712714752 2134398720 1655530368 1715096192 1938338432 1164624896 1489146880 1112380928 1175400960 2553933568 1190749312 1608656512 1847399808 2301536256 1565291136 1263170560 1902289536 1548151168 2100078208 1767069952 1968461440 1544277632 1807415808 1329661184 2333080064 2005312896 2247111936 2102087808 1324139392 2132111360 1836876416 1487975040 2121664000 794519872 1439342720 1708538880 1349958272 1607446144 2034995712 1329351552 1116421760 2000106880 1810119168 1721361792 2159226368 2529797120 2554793984 1833928064 1850748928 1491044224 2312199424 1001474048 1083814784 2519661056 1544033536 1468350592 2078909568 1551912064 2270500864 2136801152 1883048192 1995867520 1931333888 1173012992 tiglylcarnitine (C5:1-DC) 201283 76275 366780 246881 313066 1000671 523112 604546 447498 663723 1070659 187825 774916 364054 671614 763238 467119 691775 497576 640701 655063 536721 568665 462020 467984 162429 560619 281262 283103 300526 183049 265437 350736 346566 1006938 559250 338715 259966 369735 552963 839237 353880 457055 1206542 908153 231158 858694 995658 225951 766690 977250 515714 1178190 614539 357428 442370 805178 597687 1075245 448129 580948 907170 417607 519110 942941 903606 311421 466254 594060 302909 521972 385426 450777 717788 364678 218432 140664 266667 342695 486806 564942 433751 737270 957241 469964 864620 355824 882873 185665 266669 424852 404790 504954 1454183 439045 178539 440511 valine 1445383808 2584669440 1915482496 2098338048 1767721856 2451064576 1871118848 2061971328 2121452544 2382967552 3572149504 2685203456 2092191616 2458543872 2611496448 2087028352 2499683328 2545124352 1765621248 2252226816 2212256256 2318914048 2342131200 1796024448 1617469568 2223313664 1610628992 2066270720 2574830848 2283561728 2202830592 1689958400 1784342400 2468659456 2105606656 2257318912 2135634560 2655145984 1708069888 2104219520 1505475968 2182073856 2345817088 2513534464 1907087104 1987616768 2077824512 2055145600 2601577984 1455911296 2045730176 1022482176 1757067520 2474665728 3335634944 3164704512 1749821056 919877760 360585632 2050193408 1817001088 2238598912 2262358272 1982147968 2780796672 2025610368 2537576960 2012816768 1925834240 2324908288 2573070336 2108234240 2045901056 2030227712 1236071040 1831103104 1833360384 1912253312 2245565952 1501321472 2960047872 2024677888 2437836032 1748571776 1725080960 1991835648 2735918336 2715677440 3618168064 2124307456 2107631360 1874057216 2215854336 2280532736 1592424192 2738969600 2329003008 1916349952 2380705280 2491716864 2287354624 2533225216 1455841664 2585025536 2731228160 1432336768 5-(galactosylhydroxy)-L-lysine 360805 483129 548882 898197 931517 233320 284613 855383 515916 597027 1171266 792637 497823 597681 274474 386005 568909 441692 374792 480474 635552 289864 244613 649994 458676 417660 419783 527131 373257 384891 583544 393919 327001 720314 352137 1182870 830616 267253 608263 479911 283040 376046 576578 613907 621881 1195514 451301 462532 731527 597246 334568 337137 1192626 856814 519859 529956 696022 886895 281563 398376 677080 522379 593404 873773 983953 365541 598634 643368 705897 731240 486740 493735 365617 469457 809078 330296 599077 334867 496869 213081 528496 490056 573212 360390 684568 288155 488700 499325 637421 1449765 408476 1284231 423267 402126 263641 562526 492686 731161 830538 530546 505988 990727 522451 564008 406396 613917 5-hydroxylysine 4307528 4989319 6093291 3810865 5985985 3383452 3842839 4285181 4129320 3984778 5716335 4583965 3265105 5021595 4505584 3689294 5774753 5985448 2870224 4307942 6167819 3898323 3592314 3231449 2296056 3918222 3001305 3657428 3360441 2811779 2729252 3027410 2522393 5206981 3774603 4391201 4892174 5019584 4845513 4107172 3225711 2968602 5549981 5296315 4502238 4130040 3139069 5104161 3817850 3571010 2803150 3358600 4139536 4500220 6959457 11081340 5184333 6427114 3211601 3972277 4964241 3527068 4247931 3854985 4921430 3106532 6097234 3704033 4910519 19090200 6128507 2843621 5319799 5943482 4385627 4074553 3043433 4096654 12729883 3566886 4023091 10691557 3383198 2992972 3106909 2713668 5392981 5736008 4872456 5279528 4398738 5297578 4642069 5765356 9371293 6269986 5480139 4273293 6929130 8941806 6640734 4419788 3467606 2884758 6407819 4195758 glutarylcarnitine (C5-DC) 1633058 878384 4913483 1722226 3002390 4555060 1553162 5328903 3487408 2787279 1918938 1317506 2469565 1935613 1720009 1984970 1701913 1310310 863972 1449160 608653 535702 705285 319159 4964033 1075654 1803842 1099128 981955 1467825 2622292 1481751 869352 3581430 831755 1482868 1632629 701543 1057529 1982432 1135273 2428717 6680606 1206070 2361255 776575 1823853 1477498 2471691 4051683 876406 5585130 2399590 1708455 2334103 3056243 2300042 4055230 1027650 1840815 2028060 1424078 1704048 821184 1910326 1944682 1568724 1277724 726613 858306 1214297 905417 2851553 523834 1194961 826593 1399742 1128336 1991862 1881389 600992 1044637 1844587 1216629 1532650 3654236 694522 891006 970463 1284134 2149240 2960802 1228030 384893 hydroxy-N6,N6,N6-trimethyllysine* 671157 320063 711155 1095781 1106297 731430 365801 1056228 540801 977110 1886926 1015309 635996 1026273 632659 338344 950244 659599 426858 1038714 754880 1030861 680946 711863 744810 442935 758377 894016 841182 765478 1214862 731484 889677 615243 401226 1444123 712888 808144 625212 601287 600994 578108 645391 998100 1867910 803528 1010801 959575 590699 677274 1121281 1032373 838290 531363 638207 921793 1156913 739056 918384 1053195 572876 712305 815461 1376389 436041 846905 933374 1170422 1304324 1067685 1126107 1065016 791980 1161299 561153 832568 462968 686330 987984 578255 443328 1088325 571393 807597 534635 574986 1205627 1013893 1734261 1069244 2108836 1003027 1512664 524786 672404 1149247 1464366 929510 1344307 865686 797711 1219251 979924 480545 lysine 956379840 1327738496 1163001728 655447104 968638528 936272768 816718016 1077106304 1193153024 1183061632 1867442304 1114857344 1231521280 1172299008 1276213376 999374144 1268833152 1388892288 918699776 1356398336 1122129664 1168390656 1081172736 798967296 701113152 1074844416 553462528 1329315584 968745984 731442752 862743680 590281664 583450816 1081024384 802710208 1060533248 1304465792 1704145536 760883456 971076992 1007782144 401226016 1027576000 1176336256 864961472 942458176 743888896 1288980352 1321456896 826362368 555426048 528099552 666302208 939884928 1978699520 1829198336 813420672 1074880896 1004294528 898356096 947898560 844464448 958790848 811721920 1161355648 891556032 1147522816 1065936768 1375344384 1229186688 1551805696 859942848 1280624640 855743296 664522048 799607424 883412608 1121408128 1115193344 982627328 1173285760 1097811072 758158592 1120991360 766492864 559808448 977801152 1280318720 1309898496 1306548864 1121867264 1276643328 1012279616 1099567744 762076544 1497778304 1048872512 770620544 1271041920 1026850048 1053820416 1094181376 598843136 889139712 1042395520 639276544 N,N,N-trimethyl-5-aminovalerate 24035692 33998504 46778252 19721314 12966657 12325340 28017010 40062664 44015344 15885734 38736632 23299216 41603836 90384360 25533496 49882740 21702960 15421571 14246555 19575650 13973261 32071312 9863908 25140708 23394186 21769524 17994594 27807448 35100376 58737240 20851376 29985634 22863204 39274844 31188398 20984070 14228928 54452996 36479000 26241678 18475690 52585964 28991588 79605416 51348448 19239704 32531484 63796656 19908306 32396470 43057720 34057944 47321604 26556228 49412604 45387432 16239115 18718260 12193067 28475498 31796254 35100932 13971679 33954984 19427560 68266536 84489456 11336053 44614384 18288820 12388069 18731306 26700954 15382707 43190868 5824741 30353212 37870080 13877469 33177172 25892862 38095744 68897552 23696732 36884376 17133240 39076860 37719176 18160584 11062687 44561884 27564096 27786150 20141654 56061660 29079898 59504768 45823808 14332961 30110784 32153662 18191238 33756704 78124672 34876892 33885104 N,N-dimethyl-5-aminovalerate 3086392 2543163 2414683 1781127 1213406 832789 744386 1266359 808110 1801976 1644477 1340500 2525764 373860 4416772 193774 361606 460376 2761609 788726 4002186 2380778 786989 571725 1970111 1325074 526502 1072477 1012556 737934 492667 337891 1293643 2281643 2235856 1075281 1363757 2423700 1058035 422103 212698 740359 801967 967859 857545 1708427 2065306 954915 370161 1504579 3830688 3199925 1292345 369273 639282 380738 804354 569422 1240922 691659 880158 773530 656136 1775578 301462 569310 859156 727469 201886 1705913 617043 721123 812210 578161 792188 262520 874524 665414 1802823 1581674 1353005 407750 1310324 670588 765871 851894 266902 481119 265003 2241681 1117243 N2-acetyl,N6-methyllysine 219288 705483 130742 986696 406194 135711 280551 611124 161305 540970 420037 587355 949202 1006640 751474 1637742 508206 1312388 177373 210409 796059 393455 1090476 719657 2241819 5045649 341881 536688 851496 270074 1005288 668766 3915453 523952 209844 154221 799897 211177 749645 211236 205953 103920 1655245 302250 441597 517472 131193 121720 419053 801056 1615503 695908 1173566 972405 673418 1316252 1245737 222464 527822 588266 1355700 425544 1614936 86045 3903223 423917 233032 631041 568571 941484 497393 1187786 N6,N6,N6-trimethyllysine 37588976 35237616 40389364 27570698 24288366 32518466 26451720 33316888 32394214 51117636 57977172 48755892 39355912 29831410 47457992 26765182 25973104 38264968 23192942 36894484 24743508 28582142 27266842 22967600 25121840 33532106 24297812 48571792 32049576 24649538 42769380 26616910 23265450 33885332 34749092 30722496 46859236 44805524 60680996 35766728 29639962 32178408 39765560 164837984 46347704 41404820 29688544 26179628 41863448 19073980 18261670 34733820 27936548 34292764 45409832 49327540 33947724 28332232 30871972 30204146 37897852 30153006 45031436 35382780 48605464 30387006 32781560 42752380 38553340 36836536 46008804 32941552 47503792 32391412 30745772 24707522 23850832 29610442 41082488 25361958 33404174 54610176 25860346 36346928 30435494 34307024 41265684 40519516 41384952 53096164 36498756 69175416 33201374 48679840 29114998 37275456 132389112 39318836 50936148 33183810 45098456 39078452 28490994 23888002 38912384 33429184 N6,N6-dimethyllysine 43076948 38511476 37942692 51344100 31243712 96899896 40434776 51947692 53700856 41616176 65302636 47341900 60307504 29289698 34570332 35507692 19179396 48337916 40736644 32045780 58256824 46705412 34391096 28395798 32500510 30485884 20946514 33603920 29168930 36522444 31927316 35811824 28732732 34004616 28540100 44143912 47765360 63765248 34355092 33838548 33185582 30666900 82617064 36865740 44671008 31132942 27220190 63837012 30082092 36449536 48626464 35702756 37503632 46563120 62054108 65109240 37511308 96008880 50450936 48081988 40880628 31801054 58628416 48029548 33356184 33934376 46172336 44132704 32282334 55943092 23002488 53213860 32975272 47027976 43394748 28483236 28571778 46589128 29263596 24910856 56677000 29699004 33003520 35541976 35088784 33157552 36109492 41039808 53124188 44879412 61863984 37045384 55504468 38963520 30359456 78647456 36535012 61181480 27816358 49441460 50532328 44695860 32706016 56342492 34427312 N6-methyllysine 36608772 39389428 34033560 80636552 24112106 319166592 68776920 43955376 88169064 30994666 30684684 33260856 117334464 48872532 55849216 45844892 32912870 98645848 23451878 64189604 61432112 69348232 65659144 58320252 42342744 51652000 29664050 53125904 54662664 57271912 26542832 31237668 39867600 28424834 31424162 46048664 51013136 50777152 109146576 42593052 38660752 44393752 29726968 497309152 28567262 51305008 46039424 29361854 108187328 72657352 67726000 39535564 36320092 35605596 45049704 37614032 92536520 28145780 304318304 100308504 42411012 78275848 26621768 125192296 38253212 98491944 53264848 54562536 52977320 33332624 101310784 24340646 93475432 60446496 83120072 82396464 56608004 48827528 55916016 35899700 41356484 53151648 56716360 27529868 39094532 41035116 30684140 31004758 51207952 56534904 42884716 108060360 46388348 47048744 47606100 26019088 464718496 24957872 66176988 38056664 53895088 112464680 90115680 47811144 41179616 38867020 pipecolate 746084992 40922492 59756028 72443784 82132696 50179376 71463960 78981264 490863904 1001025024 124524248 104807448 114067728 77585792 81751576 730489856 192369888 145260192 62868404 105052896 125601960 170799008 46871712 51646024 49459652 67308296 38199376 64354256 104133944 52218208 81748664 56903548 222153776 58583904 76305808 102199000 66487124 695168704 63067656 35316828 147236128 57848880 78958784 1151758592 105201496 133639464 106560784 63337380 87247736 228600464 58744548 105788576 104971928 202988160 63826412 119700760 70012840 575458240 38346408 32171892 42484024 66536720 529780800 96478656 144917808 103760400 61544340 79759360 1049736960 505264640 157657776 58791824 92950080 49831704 97354208 142880496 68506344 429650112 140741648 62605620 39235124 165221344 49288212 87570264 86125640 88505168 50969544 162951968 295400800 237001184 682866624 85756024 80935952 64655820 82556008 73859664 78962352 71395960 128478152 98904768 94941888 93990576 688278976 224478320 76650160 104312880 5-methylthioribose** 2823040 2013561 2817344 3592073 2993480 3312186 2967371 2629083 2304595 3042503 3772095 3081546 3062031 2833253 3606816 2214116 2535768 2628304 3054551 2913093 2518410 2102835 1642741 2550455 3229055 3114135 2551391 3609621 2070024 3212397 3490116 3038538 2746000 3255335 2193790 3360763 3271044 2900386 3631972 3267425 2974479 2493231 3066780 3082616 2740131 3835125 2032824 2496478 3418762 2831411 2444880 2690330 3651131 3192156 1805714 2568079 3575464 2640933 3758714 2989152 3351142 2901428 2941021 3281790 3115582 2742795 3208161 2890573 3385367 2817960 2601453 3560251 2861850 2722654 3230265 2154669 2979714 2235167 2652654 2508413 3049498 2091975 2993788 2446294 2636772 2193708 2457182 2186214 2116389 3513904 3276806 4486744 3458376 2564673 1955433 2898536 2435226 3235427 3065312 1865423 2992806 3483334 2616815 2196560 2579074 2976654 cysteine 6794701 7486347 10150233 6790769 10413199 6376478 7471942 9205875 8936017 11864773 7245965 6539468 6225615 9648580 10862818 9255205 15489666 11734784 6211713 7329655 7027811 7365872 4729899 4295818 3658456 7245267 6513459 10558362 9196718 4964671 8150943 6651105 6107569 9903409 6536575 10159789 7059989 7856412 8363199 5900369 5244397 7477474 5816405 8980521 6237528 8087481 9859790 9096338 7028438 5043781 5999640 6606672 7390084 5420268 7713711 8123738 8868475 9712472 5969549 7383193 13041582 9805465 8721117 5740371 5098988 6822863 7230695 6256895 9786522 11171950 8055939 6389134 5581681 4673150 5969887 5503888 7768293 4071464 6489462 5400981 7470100 6033479 5246806 7047255 6097968 5316858 7658093 5941461 12297463 5777380 4920695 4877235 6701522 6465837 5387571 5865214 7159560 3218476 5295395 6930267 5871247 6320137 5980346 5205226 6802950 4690436 cysteine s-sulfate 111969 71526 170246 104840 133135 125656 88629 158873 144990 80739 186424 106279 53980 161435 265100 143773 124087 227176 165751 205723 184315 255067 95692 146988 118734 144042 200785 152081 178194 89463 153705 241353 155053 142402 141887 142010 144395 150564 165092 110114 186107 155624 256884 166406 98371 129797 163586 160380 93812 134542 160274 176115 186929 88313 176916 106406 110199 101443 128985 69206 100087 125543 195911 207784 164536 163833 177226 212038 131417 102406 96192 254055 120325 159574 87778 275639 141120 220409 117088 153690 157874 158762 159108 113325 90637 111691 156457 158397 101626 108271 122155 151258 92845 172780 160039 59582 143181 226158 77878 162300 200921 cysteine sulfinic acid 249752 214285 261354 162176 190988 207820 185583 171532 211130 187714 210931 260052 135216 183085 310123 425277 246793 285881 302223 251570 269943 184462 409944 231952 194165 206922 3218215 216544 227766 379021 164821 159799 182228 519067 287743 256287 272080 391961 482859 461456 250277 1210488 600085 338191 421097 442194 295822 400497 263071 224854 3570386 270648 339933 461075 262838 300413 344524 448093 185328 260021 616037 409371 276907 744673 244018 363897 588187 346931 456575 361751 710713 688028 529525 494891 388838 1122226 216051 860748 194090 285832 236177 496713 479756 243599 273721 407823 830824 178344 314046 543097 692530 541274 350455 355757 668159 658409 219695 670916 278839 263449 518915 401758 340738 544991 406344 707965 cystine 73744280 96709176 149308928 100024280 141960688 101488384 87235392 102458736 80186608 162345120 167948288 119740176 82867920 110735984 162855280 121345800 138345504 163711200 148259248 93177128 131200016 83460304 101332096 86390440 120059928 93610336 115860400 158856768 145164240 123385288 153880240 135249632 125866992 181775472 122274736 147034720 132508168 121030464 116916848 112631864 143820416 130280152 129177688 150319216 104169104 185314704 105634480 117440952 120134616 104522256 116631704 137182960 170514672 69350280 127012880 130710744 112121072 129977592 112717936 65685232 110092632 108384328 137648432 82985800 120673840 114469176 158003552 130138336 155944768 148883392 178796000 149498208 134426720 131563256 95021272 144315424 132478560 69487304 87146768 156353104 171948768 97416848 101061584 111530184 81882256 122029848 96982056 83089000 120518672 108211192 103118704 109557080 95458200 107967488 65130524 125646480 122563816 118056872 156487888 83117200 142260880 113753096 110960248 73478720 113513872 123718736 hypotaurine 14317490 19056446 12961221 13980780 8176187 10887245 16586877 19564250 11508252 21860492 28034262 17233776 27704098 23003610 16803634 10265450 22028356 11716403 11580344 19486770 15555071 9459314 12512121 16200024 14103126 22923342 11618337 25003606 23331088 15823062 7473182 13034887 9897549 19366306 16893498 22980346 25310430 11178569 11715502 12472486 13559683 10019328 21574484 25724672 7904049 17769792 32011278 23478076 10303881 10625164 14099291 14098032 16594854 12870635 16563459 12697107 17715624 24553080 9491550 15591620 28215306 25602414 20484630 21047994 14922684 21491448 25784330 16092332 16082283 26206068 10679866 15967126 10547631 16345507 12142166 8080236 15335088 20877364 23653136 5858266 25529222 15883294 16403298 10031983 12394320 7858968 23383328 20743084 20470302 23566174 10609420 19956786 15596320 13581783 10943277 19966856 15430294 12593025 12558550 31198850 17085358 7140708 18240864 14987436 17445742 15796296 lanthionine 2350872 1520006 1195117 983253 1138510 2754828 3747776 2407860 1818671 3008107 6299868 4946062 4323654 867109 739786 377720 886248 634602 577751 514782 306647 1940422 3631259 765573 728481 779996 1074291 532867 704937 1707430 1029213 661293 405783 875389 530694 613822 418883 540408 863609 511929 310846 747910 538234 525254 2623005 1068961 1008282 1115553 2768598 611813 2952858 1291673 1669780 481099 2990853 2453926 515472 1683055 717642 460527 538873 654850 680300 1002045 943257 1054213 912432 547095 859143 585188 1299828 1192656 722237 544102 1595617 746967 693527 269769 583172 685816 276599 727050 781817 395283 517603 369456 588457 638346 1300536 951985 765265 1238081 752559 3216931 347190 580143 980035 2446179 1234636 742088 909861 448122 939916 1502881 3509918 762419 methionine 1297750144 629312256 604358336 717583232 632152768 612450368 500272896 680413824 632084032 610390656 621217856 541443328 755989312 583384192 1042107008 528947584 785985600 715212608 614756224 628888000 787564288 550625088 515302400 570548736 510912064 750392896 553383296 906403264 688626048 637520128 737307072 611496448 478883264 662348032 638272384 674238656 715790912 1131850880 532609984 521496992 632106304 532907328 560532288 765119488 477765696 595140992 547981504 647380736 682568320 514826048 570001024 772105088 501671424 1289971712 620921408 847081216 592766144 579590016 540423232 548463680 720547200 642269824 610337344 610127488 726374848 660490304 688608960 508274976 883212288 778593536 689769600 697859200 769697024 848248640 554721536 485261696 442198464 668065472 586957312 747037824 671081920 603410432 661164864 574818368 607817664 546743296 635942528 653425728 595887616 730272256 504196288 849697088 857134848 576163456 616340416 739682304 643588928 584151168 590964672 733242112 760326784 696154304 666030656 622799232 528671680 520531168 methionine sulfone 1978479 3830796 3753969 2345643 2754083 3874839 5700630 2993189 3156490 3605990 6613964 6626068 2941963 2099179 7938332 2534139 2600854 5666847 3175847 4556017 2413893 5358951 2403633 2160735 3226544 2410856 1913268 1914391 2093553 1690904 4445963 3277996 2133764 1841273 3287932 2500972 4170328 4050467 5666292 4155356 2389882 3032988 5572026 2556820 3442649 4873913 2681055 1167172 4134677 3347651 1775112 3523244 6895088 3006071 4271510 4126677 2141364 2774028 3081699 4926698 3557940 3442086 2876686 4395419 6879279 2221005 2303013 6035390 3691283 2403681 5436346 2713451 3787204 2857088 4723370 2776839 2675518 2458092 2046051 1251770 1986656 6823826 1713503 3588771 2427693 1828086 1699535 2840573 1878226 3277390 3283746 5546829 3687793 2486306 2548626 4269675 3329148 3211080 4343144 2630877 2311886 3498854 3365290 1411418 2595578 6658038 methionine sulfoxide 33073658 25638094 20418116 25893226 20612546 21281426 20331984 21032590 23035374 24683518 28691848 21852672 24451752 17272230 27749874 18865934 23720888 24117680 15770985 16627114 13704186 37051672 30773610 17827194 12984365 25820248 11895105 12314050 17922958 18365594 29637770 24459738 36534468 21855632 29427008 19300254 22836212 44207952 39564536 31435872 17693728 42140528 14959154 22878738 34703480 18195776 28507576 19274842 32410696 10760131 17972718 35513268 16357011 42435432 40179472 41555080 13520051 21719974 12642133 11231041 20259226 23493202 13302565 22685394 29798550 19726060 29012644 20817166 29980526 28581440 33042936 30073450 14127400 19224534 26773796 37488692 15381770 27924100 19107092 18471750 12302515 22998364 14087547 19917710 19726124 23445420 20565528 24055508 17487792 27155462 23453614 33168882 27079840 34314252 34750188 28622010 30399538 23077400 28454238 42279504 23830132 12169932 19209630 15034516 41229812 27107662 N-acetylmethionine sulfoxide 159695 74333 61434 62600 74766 76016 74139 195874 72461 175337 105169 50278 51700 78690 95256 51551 44291 156842 134481 70015 38725 67467 38010 66753 63400 56293 39950 110311 90828 82341 66380 82306 156861 185696 151330 161184 98586 247226 80982 139028 124367 126875 45225 73520 90544 124529 235726 152745 236368 80744 111455 67299 86144 197593 157293 81138 149185 150819 62956 230155 100081 76104 93203 99484 121070 88991 115185 177813 334074 87363 72324 55397 112564 71605 76726 112120 133457 96451 156659 80819 157938 106935 183396 140381 90149 161614 173027 134032 196931 172152 114476 144875 67701 105113 104571 188541 68568 S-methylcysteine sulfoxide 38698892 39130204 24740700 12605872 26398546 13114200 21344996 23033314 68079032 31017730 48237216 24910614 35087452 16119496 21274402 13010087 11973541 17980498 9679698 37506104 17730752 31173696 32596466 14196684 22008582 10856681 11170542 14465392 19219418 15383948 19581370 17470804 14380360 11578090 10075557 29570238 19376222 24489704 16282633 10936994 21458940 14572029 16195450 41503832 13214899 16217220 11598255 21656188 31099020 32741540 20252484 20749096 15101451 10919420 54727328 38049108 18795198 17460466 13486227 20129684 25852936 37610076 16451795 13708709 43742328 11585385 28869560 16322678 13727734 13351175 24773388 61631332 11985134 16134708 19332364 23242220 30610510 10678892 14955093 20683050 14237781 47277616 15715192 10537754 7923140 23083236 13390967 19021524 116677624 16781336 16677130 26804184 12047829 45862784 17829120 71656736 48717848 51981016 30432194 38848108 14469976 13890823 9169208 13649669 100590576 38800160 S-methylmethionine 228929 606979 958273 929581 384954 1095041 139186 1021151 269606 7965814 297705 653455 93984 414389 5241958 177940 1433202 8559399 2602911 1298009 241677 838226 681637 165853 760660 1073808 3321504 1817513 68074 1287507 834884 604285 5227817 2589693 6145339 314049 331521 2977371 5264352 831542 4382985 9749914 2142972 442176 taurine 188487104 188126000 241280432 188565536 132651656 210442256 238655776 263497088 205484544 292974752 285035264 269755296 300686560 311407200 312708448 247772816 285881472 281297856 152803520 310343264 272636416 252753040 266411920 240403312 248449616 256963872 255771376 387186560 367524832 247829888 221088672 239756800 209183856 353882592 266760112 269035360 284682528 203996800 162673792 184714640 173911024 277363840 290663584 344562784 179638704 237043152 301301472 281412992 210811152 210787072 355441184 282764480 242188544 206842784 235196016 273104352 298815840 330594944 202806032 216057296 377079264 286604640 312160608 273538656 274993728 277996672 299087200 254099424 264837968 349764544 278278272 202193280 228770256 252433968 191180896 211481584 198422512 293415456 254939680 240132544 356897280 215578896 293727008 198910416 257386944 204174896 399882496 319264096 254019696 278097184 215246944 231314720 241125136 208630576 208387600 325349056 261955904 238933104 239065440 279667072 179679024 164173152 332691936 346998752 358241504 205780240 phenylalanine 1845366016 1741879168 1803362688 1421912064 1556737024 2165241088 1857180160 2236843008 1831081216 2039394176 2240266752 2152611584 1961339776 1794612224 2281523456 1704503552 1987757056 2147190400 1626132736 1902445056 1579539456 2416024576 2639804928 1580068096 1190434432 2403942912 1547699584 1946123904 1919809920 1371269888 1815546368 1266926208 2020006528 1867295360 1649237376 1836379392 1791305600 2600428032 2142450432 1967003520 1291477248 2651278336 1821891840 1947389568 1731692032 1775347456 1667443968 1956876672 1850610304 1236760320 1530922624 1819624704 2059616512 2916006656 2546691328 2175695104 1604694784 2155398656 1579132928 1506802432 2531039488 2014446464 1886361344 1753226112 2079777920 2013052800 2712975616 1969697536 2607566848 2391352832 2211942144 2142353024 2141157888 1742275328 2964857856 4715065344 1635506048 1891183616 2049452928 2292483072 1757349504 2507031040 1735804672 1428758912 1741589760 1984599936 2320082688 2237646592 2744620288 1974550912 2383075840 2452875776 2131316224 2261637120 1691564800 2398677504 2307776256 1668600064 3370921984 2117388288 3032787200 1973028096 1847961856 2084602624 2716346880 2541099008 (N(1) + N(8))-acetylspermidine 4020477 4135476 4208936 3728351 5308602 5357762 4351781 6859037 6545407 3352785 5411029 2833358 4578784 3299795 5494325 3134829 3203395 5731563 2566875 4011077 2734431 3830396 3503288 3764133 4368857 2664465 3644355 5099044 4551305 3225635 5035955 3791173 3550026 4636317 4461233 4647748 3845370 5989483 5800487 4059025 4126011 3680822 4622323 3352971 6111130 5931519 3921843 3959297 2969307 2989616 3433081 4923603 4950420 4410353 6728803 5946145 6583628 5096806 8391070 7482119 6740685 3728307 3136294 7512472 4676980 3393528 4169373 3650268 2829915 3282426 7384179 2298225 8352034 4192719 2235891 5083227 7442876 3534910 5142389 6112669 3923841 6832253 3530350 5478610 4984410 4784385 3564179 7848586 4060022 5392853 3597003 6913455 3045409 3516054 6754550 3385058 5518632 4654867 5846898 4311401 4823272 4380641 1989591 3146282 10893786 5124558 5-methylthioadenosine (MTA) 1302625 634142 963386 792240 942593 762252 922592 1119231 727533 821533 1121223 854181 727400 850345 927595 972074 868354 981270 696533 649587 465219 406729 245479 789530 722342 991386 509242 861964 843834 731924 1029424 732982 606607 864982 884366 662933 813674 1033661 1028631 773498 626929 929670 762345 792294 1037555 1053673 666489 610437 878747 760504 681090 886329 986785 2433240 713429 1021843 786474 863693 560784 1006545 868493 754109 718238 974301 1025667 899283 1074622 984927 1010901 971031 738610 815171 1166685 675789 522001 580070 893357 381088 909978 723924 727117 1041107 664666 495514 416540 310784 682403 640297 845627 844747 737370 1238474 1083735 771443 683690 1020324 823683 838213 801710 869854 994032 869357 747095 304454 944465 889359 N-acetyl-isoputreanine 12923497 13637217 17723846 13518153 8950829 10900726 14159761 21753442 17606834 14537252 23865644 14362390 21705230 18495122 16763682 6422328 9899805 15771723 8700098 16371663 12377529 13748671 15082052 19264736 11522115 10111062 36463456 17591740 18432458 25339944 21018564 17407372 8181157 17086962 16694114 10943716 15990142 19177956 25418066 12809886 17022814 23276800 15482202 15774634 23343788 19505362 12838173 9857423 11262505 13168505 35778452 15929865 16615813 11945740 20452882 24465284 25886454 11003125 14735381 18778094 19763730 14173768 13269822 25261118 20268854 16925834 18337792 14346266 9567231 13784813 20502870 12614758 31516198 16060988 14408638 32907322 15102863 18912342 16372054 20063554 16893894 23786212 21539286 18835852 13082796 9190698 14598225 18014400 9417559 16765513 16947660 38415340 11694729 16664957 19859058 12415190 17702424 31812626 14247600 15645961 18482508 16163061 15370202 20865020 28280006 20362676 N-acetylputrescine 3993902 4091758 5698860 3759496 3979657 6039844 3230378 5700716 3495907 4687444 5217188 5183120 3352078 3260607 6947868 3662307 4333330 1829112 3548682 4530553 3459483 3128680 3572393 3149228 2154781 4009961 3774172 3517030 2984814 3135297 4012052 3251035 3460077 4621589 4037530 3569249 4652191 4607995 7022160 6757176 3885254 4133198 4358836 5183049 3974797 5690895 4253561 2922792 4957153 4823601 4994495 5488505 6106783 5632082 3891229 4049398 5544824 4515663 3846641 4347987 5633487 5359395 3433515 6082782 5593293 3298513 4020007 6950354 4396629 4172125 2964886 4154495 4949684 3017691 4426144 5221213 3732955 3080059 5348478 2656491 2781683 6166994 3519812 3390702 4167241 3103953 5150919 3660686 3346443 4788963 4901665 5035548 5002749 3823746 4201373 4021778 3924650 5288429 4197574 4150686 4680783 4586426 3882474 4291793 7095835 4640660 N1,N12-diacetylspermine 98568 394678 333271 233722 378426 174360 164570 712335 425112 737981 273441 457572 156258 214852 238444 333821 358371 89192 370816 395743 671306 463892 96060 394546 317025 456624 563834 266962 335623 273334 537290 534170 209698 453619 570536 613265 206562 145483 376792 605457 653912 706968 559764 321197 179881 117671 592660 677986 862872 366669 337799 282509 429110 224579 225948 419662 696445 565004 537378 712248 404129 409911 235315 328102 316359 597382 359144 1313920 234059 273057 1137693 454918 565872 167852 564365 351987 1021393 696764 161144 373391 204492 808543 779132 205647 436712 405493 512067 179635 63600 463518 624634 548229 578382 307628 486908 494453 337837 640269 1243090 695807 spermidine 1759091 1002589 751098 992147 536573 1983807 1583873 3707233 1132172 1343563 1206534 1164171 1108453 1209800 1575000 942847 618294 1162017 392595 739758 1901023 865920 2690905 698417 985655 1310703 764822 1274105 963118 746654 873762 363047 570561 595685 544703 1256296 674990 623270 975451 524133 999016 1144721 1904154 845188 1463212 1020230 1409934 911478 1732475 397733 861846 573824 482248 1000860 832914 1347286 1997468 1498124 2669602 3562746 3349199 791459 1244575 2495154 1220378 988975 1991748 793463 1142518 939424 1814877 1031485 2317768 3931412 1167220 2759207 1163265 3489321 1222578 1040529 840115 1241323 1027417 774527 508786 1061129 806443 740504 993776 1294602 950378 1679603 388327 1959483 1925950 938823 2103768 2101190 1093488 700855 1532093 1776332 818303 452028 1598191 686529 anthranilate 459796 535331 282993 360282 294375 658370 358955 854895 515771 298360 598067 778979 660331 329616 442015 219706 285413 248882 774103 582768 330146 307842 408357 712506 233296 219701 315570 581389 442015 851455 307917 313234 406525 1027308 942500 1139174 746942 328184 408426 249071 505224 481181 422952 477157 318198 490338 590007 418598 475521 724266 517119 231000 341262 319128 244508 264327 264537 325811 696229 575926 502136 309181 486745 354278 342188 786725 596462 143221 308234 293158 657425 360103 493774 170672 633454 indoleacetylglutamine 445042 200574 458506 177071 347297 368552 483763 341622 157328 322607 75716 114686 156889 719133 195182 254260 608227 267423 988534 245048 145841 550487 384639 181627 158153 527621 88064 153883 157231 39872 201158 303530 314712 176114 673055 245398 172678 504236 202739 126655 364037 199481 120710 96955 285919 230727 339473 744019 275711 183038 137261 267146 427072 505258 719370 134704 598159 341859 355819 660951 239020 595707 98971 kynurenine 24508960 31462648 54688148 35661868 44687396 46937364 40030980 35528280 30573906 54237636 73720824 44561988 32532414 44379244 33993560 32617156 37967636 51769188 26207094 39412712 43806576 29819184 28842780 33145066 23966682 28923336 32652310 43721168 40782948 26934170 39273192 35293836 27747070 33166786 26671388 37134292 48479520 42687964 43768780 48212220 28375978 27657732 44438456 44374056 40823320 48131412 27312664 36434408 39099508 25329054 27018734 24735248 41350388 61856008 54488360 48941704 58463296 56707612 44313252 48723256 38048932 37435604 47053304 45548908 42751300 46986204 44882980 27843322 36821760 32748614 42894920 42917396 36470644 29650836 43644124 44042932 37422388 36425872 46240116 40008924 36910632 40782304 24062808 27625184 24469120 22718736 31531368 37653696 34220908 40000292 38823480 59497264 34299792 48755508 18098728 62120376 31169464 33954044 39683272 39321324 41295476 46303016 15606420 25716520 37138352 35977832 picolinate 287974 136633 352722 236042 341421 793042 612368 284494 366365 1480324 1523386 1298677 285589 589154 557442 807863 673140 245486 1449315 369015 657290 442508 294186 616776 260717 346832 406356 1089472 379265 681270 404915 399451 716067 223656 692592 459313 572670 531479 243646 348300 472168 554765 488032 444070 1108516 346772 622647 1293934 538923 480393 212722 1136490 1192616 1053910 771311 616879 676428 1237025 453072 506551 542509 922601 802799 1504864 426786 392566 834999 269584 301995 369096 699355 722465 296291 529699 708745 479201 351125 541670 791784 917867 794093 422143 419616 920919 450251 779159 312668 445257 520157 958672 704626 498645 371880 478454 898106 515252 500029 661212 388873 417146 412979 836291 serotonin 16161156 45956428 19209388 30112730 29337456 27149976 38555256 35455792 15146020 35545752 25932454 12826859 15838392 22801700 36821396 20938534 42132248 35247824 19741384 20044724 9128132 14250213 13681672 14676829 20596568 19197430 2068632 45694800 37202436 43334396 17848898 20786772 19946048 98329416 36513776 30177960 8854261 13636238 28177870 18386648 15879121 11502231 21789376 30209738 16708968 10813456 23893914 25371642 4221464 32970700 9380877 28164006 9866395 13713357 37087660 14965522 22095232 21496660 23896954 24917482 37705728 24880580 38933912 37853384 11969703 15229003 22191164 16448383 20409290 44152640 19777620 15821228 19463454 8274256 10026365 13615320 21984462 8021867 10783936 11107012 49658628 8984233 45098016 13180383 13045655 11036761 71575536 26556050 18143922 9559593 8028431 20483522 29278156 9097696 13418603 29368266 19248630 12636755 7299849 32679402 6027996 2651824 18582096 24498604 24317668 9545573 tryptophan 473842464 658551296 951099648 567945280 948170560 1213985152 731906624 488997664 377107584 984028672 944731136 940202368 535718848 1013873152 609876864 331653504 1116988800 951854208 564143040 948053824 630232192 421274432 778137216 518335040 482935040 695581440 771761728 920359744 1081267328 747185280 982117120 781494528 584629696 910026944 790568448 906782080 517508256 1239678336 563673920 666314816 480425152 500975424 769028928 858042880 569225408 575109312 890985728 831961920 1088859264 266770864 748136384 695124160 303881120 940230144 1113864704 1213521536 627328512 825007360 915242496 603755392 402667584 597953024 889587520 420290368 700065664 1018018624 1007808064 282863264 732053120 763697856 871707776 1061572480 696208640 597087040 857452032 666166016 854723840 768295680 719851584 464750432 862338688 406856640 622397696 601060480 513205216 535351968 1080729216 884985024 983491072 448145696 704637568 786197184 588558336 622629376 268235952 1226844416 475622592 568018176 452389600 984647360 615024896 1115934976 178756128 672314432 881396416 416816768 tryptophan betaine 32505166 15799236 15111785 28003928 6325002 130976168 126851048 11691894 102991672 37833352 73237856 32026338 40348380 114280136 47100388 71139432 70742016 47988760 17904394 65720952 5639841 44601784 26209816 133692816 274620096 50089844 45905592 87305248 118552376 102937568 11246116 15472130 14529060 98804696 10412318 45001560 97635000 36002012 31332524 24527712 26714162 22050072 77122912 218454400 76888952 16807792 61051664 231050192 129234264 55345480 102063112 19052396 15064201 25112804 18125432 13778365 23483942 17385064 108163872 114447656 18911310 51682404 34432444 16608358 22967620 39346476 81541496 52867436 68011488 56201984 43555636 16502913 36883396 34306168 87030280 41532604 125575016 92018744 65149420 36914916 94300992 13250556 100952184 9842789 14809517 10883363 99722488 9360418 43776796 82932552 33346532 29571986 23402404 23419766 27850232 77658320 209430416 84224816 12251941 38409764 102284392 100433936 36722272 122745952 15834988 13466923 3-methoxytyrosine 2441465 2460034 2692894 1273178 4300509 3066780 3567481 2733242 2926042 3553027 4753114 3313302 2705501 2155459 3385388 2130703 3062325 3567577 2756977 2383402 2064086 2788822 2458775 2652217 2459225 2914217 495067 2537372 1917542 2118537 2592492 2362703 2237882 2538726 2290439 2409520 1602593 3363368 2305858 2179738 2371278 1609709 3395280 2915985 2744930 3729235 1679233 2662867 2849917 3648751 2490196 2984541 4172814 2974858 3350205 3401434 2104842 3619542 3209880 3964348 2890791 2757651 2648170 4018311 3915988 1615773 2110993 2296103 3182897 2552494 3211874 3640846 2825805 2165503 2603732 1564489 3588836 2215495 3653609 1334695 3373057 3459758 2424892 2369720 1994923 1835443 3334621 1993788 2643022 2401782 2342892 3119353 3202494 3247952 1912032 3205632 3677058 3686073 4088233 2895370 3642976 1868963 2894569 3362989 2484840 2897616 tyrosine 367831520 429537664 386925472 448451136 408296896 643189824 388362432 522718528 438263040 502344032 738293248 580241728 277401568 447172288 743646656 534600288 686977984 534407200 447095648 404160416 396458496 586346560 525500064 452274176 373455200 672139072 422665728 560421248 509185536 469458016 442582144 445520672 582292032 585153280 591218368 452549824 549610112 780200960 552155776 516837280 461283520 638171328 517660640 634829632 499553376 539471680 469832384 524075008 520895808 335016640 538607552 586760128 452361216 596991680 690442624 647796672 417970688 445191520 433979040 367103904 600649088 637298944 457727968 460836096 519965824 556199616 612827072 455091200 755548416 616404288 647333696 586377792 591498240 488055936 592740096 478897952 397299424 387048992 640897856 431640640 531415616 374688000 429995776 359965792 382309664 512104736 624367296 510606720 599558016 587202944 475824096 532696704 707714560 479619584 556512512 669154176 643280448 523364192 687817984 514318400 622123264 428983744 578522560 506855744 425647552 572009792 2-oxoarginine* 3844418 939144 1612541 3676923 1222617 3911816 2012170 3868446 1890172 2297382 5002653 4018793 1805101 2875754 2404827 2124872 2579081 2437086 907555 1490823 535586 2114943 1582303 634828 1988488 1922673 1485662 833453 1644765 1000707 1287016 1349448 875322 1173936 1475672 408215 1083665 2014555 1938676 1653634 650434 2502038 1166025 2334494 1518776 2145548 2390933 1418104 2201196 792089 936953 1520085 1200795 5500662 2051344 3317497 2308869 6151154 1299915 1186366 2205040 1046900 1213959 2560332 1719844 1467336 2235774 1709259 1959993 2059146 3176468 2987168 1816592 589543 2184075 2065782 1754877 797986 2809353 2999854 902072 4300553 1555095 1601048 1310627 17762066 837485 1560038 5124625 1355890 1740316 1663183 1440127 1917559 900195 3713713 1371528 3245963 3426254 2232701 1940151 1309472 2262019 1713397 2534792 3022670 3-amino-2-piperidone 2632210 2254589 2240532 1952929 2345812 2301511 2117812 1712661 1788122 1963423 3073543 2070220 1520229 2505821 2898622 1239843 2456102 2060888 1738404 1609745 1642630 2422281 1970192 1254440 1446178 1626726 1610116 1807761 1608193 1462245 2406089 1890186 1301603 1568208 1165953 1679234 1782373 2064489 2129387 1666536 1663848 2490489 1836635 2602522 1687745 2101967 2352748 2953294 2058878 1111078 2269803 1334839 1408114 1955656 1608135 2382442 1817816 2018663 1718466 1686979 2202328 1736703 1350345 1958239 1569452 1391883 2390118 1763535 2623848 2219992 2175931 3304418 1955190 1839859 3449694 1966630 2480735 2123856 2073936 1837911 1605471 1448151 2025860 2379649 2099896 1967027 1957304 1921916 2001923 2328291 1825341 2000870 1632365 2688497 1924200 1711200 2460812 2509051 3066176 1986025 2535861 1989422 2111410 1685802 2086100 1504580 argininate* 3523369 479754 1455167 4000431 735726 4091516 1850923 3066293 1234893 3073934 4516432 6344504 1159720 2066997 3186613 3492321 2163516 2800492 1268211 1825237 1999603 1271453 771968 1962732 2511134 1727985 1497728 2025318 995804 1960299 732002 1278020 1140564 1351421 491042 1242385 1574600 2300024 2126316 860390 1623823 2192904 3808107 2595575 5463570 2907285 1491031 2129293 735973 1053722 1807307 2289207 3744480 1264046 2215235 2646293 1961777 1877241 1185303 2143052 926267 1914317 4618267 2054230 1179753 2549785 2303711 2247892 1832620 2342604 4832993 1390298 520469 1435705 2048753 1370505 773933 2386594 2220238 1112823 4733935 1408052 1259822 1584187 7889962 1291932 1513526 3653779 1183529 1569231 1590759 1439422 1620164 669838 4017970 668740 4488046 2665799 2068377 1557223 1734934 1210668 1764504 3225696 3438984 arginine 1513532544 1832265216 1577984640 2019743360 1500756864 1794188544 1373958784 1784031232 1997603712 1932611072 2668818688 1839141376 1917489792 2182298880 2263749120 1418681216 2395730176 2368422400 2284524800 1507195008 1300233216 1808078848 1715250304 1254848896 1326422784 1601879040 1456352640 2628678656 1730893184 1641526272 1278550528 1062873856 1452228736 2027312768 1652726144 1529911680 1886066432 2058788992 1731292032 1368561536 1467577216 1426869888 2085354752 1799586432 1744383616 1939530112 1583587584 2312712960 2082667264 1325823360 1451121792 1473313664 1496900992 1200900352 1864316672 1826275456 1745109760 1836547072 1484192384 1266884096 1774232576 1561010816 1566928000 1325088640 2442180608 1442468480 1859167872 1640024960 2014596992 2030541568 2361350656 1777359872 1553393920 1281867392 1855282688 1982776832 1661096960 1548043008 1919073792 1744612736 1931005056 1980880512 1719068160 1335954560 1150674944 1438809216 1941074816 1826268032 1693017088 1861595392 1360796416 1646640384 1712362752 1429151360 1624010624 2139787904 1599207296 1870674176 2614413568 1894715136 2163755776 1789838208 1748754432 1481007488 1737614336 1886250496 citrulline 350914560 448271424 447028288 444662816 323173504 519903168 423396320 415212768 259079920 496622240 800163968 533954496 374227904 510902944 543521344 418263776 333612064 378879680 534642624 408914432 464515232 409517152 374283648 307748704 608467648 392423200 326016352 431924640 398329088 445031456 418196320 473650240 524288800 547490176 435150112 361479264 490966976 483347040 465320992 427417216 470392864 344932576 486470816 573349248 410595232 570730496 462427392 427420320 488330656 353635968 366270816 423992608 320864576 429490688 458776672 472644288 356361856 400393056 379642784 359100896 429623552 358720288 423495488 506469920 485477440 414097792 572542336 323106304 600168320 371212608 370811872 606145088 427859424 498274560 587150912 405399360 521287680 413839456 389618176 281729376 472234016 542924800 522742368 441751168 415405248 404749120 470717984 459800832 471240576 456886208 370753888 427862560 451799456 345026592 211514272 442346752 487061760 509976352 331106560 463513696 642324416 463491936 513448704 368552896 400809888 536680960 dimethylarginine (SDMA + ADMA) 105065616 97948208 100947656 96379000 102705976 135029744 98175952 127942792 107886080 111385416 164119712 106425648 105881536 93427872 124817248 101403424 128815480 128224008 90932616 121265848 104862512 116501312 98725944 92059304 89811104 103812712 86576512 132729520 98703352 80381824 95951680 73322520 68757416 105224928 104746472 102757312 122924344 135456544 128016024 108399608 94609544 103736928 131710256 119723968 112166664 137588144 94465072 111016416 108812904 86948656 89040280 110105304 120251320 111058912 107981752 132105096 117009224 105317712 119972776 110943016 121158624 95885040 103963496 122395536 151829760 85645472 107239216 120362560 116841224 132237576 128105704 105115808 141764912 101433504 113010448 98181368 101847000 114736584 132966688 94351024 107966552 146823344 87204760 81401656 84559768 79967616 110860496 107595072 85568272 114426616 103359024 147480160 109957208 107280640 99016096 127612632 111549472 133234184 121816248 102631072 142710928 128063968 90960752 99028120 142394576 137694720 homoarginine 26021524 18770440 29844750 16318876 20273670 48244872 26301612 13772025 17721646 37890316 49322732 28849412 15928903 21846180 39813508 18190594 38219412 38774472 31959674 20166146 17984080 19579002 27151194 20973430 23418294 29049876 17708304 33303148 18852424 17912958 22170828 13609174 8317468 25871408 13163272 23033538 24360158 30547044 11445849 16768922 20312570 11653748 27819098 30945642 22748122 17089946 27376994 45862356 27841104 22182896 15194845 10113048 17650850 26296356 32801464 42603708 22159128 19687186 44338012 21019990 24576286 20192062 38400036 19341360 44623912 20889800 25738306 26822082 37571516 29425202 31939180 38277800 20669102 19445150 22725796 18951860 24915768 28540490 36142036 29671986 32857522 24628712 16305038 20214836 16642142 14283945 29506992 20293258 34863092 26319020 26278944 19711548 22107652 28436914 20851476 52203432 24358326 29559066 36118648 43524948 37182296 34700788 16445413 12184634 23193558 26778684 N,N,N-trimethyl-alanylproline betaine (TMAP) 31162042 43822616 67254952 42383860 44864792 47799440 43610476 27414934 36598280 58247104 59613260 46083744 56986236 55191232 75344448 39449832 41567212 57998892 59343540 40460752 52383696 48739140 25724752 42182404 44632412 36301016 30218738 64961636 33486898 51032904 55857792 51319652 44140388 44140904 38866260 62056552 45160356 43865744 69053672 49638044 46593060 22435548 43334552 44627844 41763960 65363788 29639808 35888672 52362612 39881848 33267942 32149780 48088672 42947104 57741164 64055144 53046524 40074156 41925028 41243424 25170716 36850964 45781480 41050604 45717940 43623352 55548900 49788448 39677528 46107512 44347708 45031788 39296600 56684140 44458676 26625868 50378332 37276652 42836624 56937072 57465992 32924888 42036164 43349624 44692604 39832856 44479128 40755496 46877948 48769060 42899792 71165440 44045468 39764840 22565528 39915792 43715716 39141440 43807616 29655016 38574516 51837860 40068028 30430698 30072826 35847528 N-acetylarginine 5542922 2207734 4550025 4509168 4947551 4348141 2218461 5256344 1939864 5512239 3999511 4162474 2106282 6735621 3789031 2217860 5350512 6624266 4307107 2803623 3127678 3103498 3272757 2660638 2247710 5559983 6314800 11734314 3880672 4643327 3455408 2256200 2285291 9279038 6146693 3461150 2998886 4993805 5769811 2993202 3683994 3196368 3890107 6589117 5522444 5045418 7036338 5845825 4804731 3281346 8696267 4406925 2043113 6908988 2265167 6284245 3375789 5315376 2290956 1581921 4527116 2397426 3662682 3055129 2740392 3546484 4518025 2495484 2527877 6292253 5196154 3562787 2348064 2694268 4471432 7508670 3653206 5650954 7961540 4601400 7826973 4500291 5743050 2885554 2699007 1814653 6749526 7053392 8697458 2709889 3625980 5274207 3027668 3266917 1200250 3078569 3902496 5530050 3480690 5156885 6395203 4018563 3823296 4229742 3758949 4557591 N-acetylcitrulline 1521486 347530 904677 859985 977487 576306 323976 751829 703447 664140 871158 782943 290682 527872 606441 480441 1279695 297403 725537 584390 799742 401972 441439 1030896 554938 712961 695268 573708 1397619 1855814 744320 412501 1932976 2429829 516574 563868 316414 904741 824517 1780981 2412866 716542 1467612 978233 591372 1723133 381605 1485675 874833 347579 351160 280656 103922 1070043 864275 447461 528235 1903187 448178 461749 384997 696462 418304 709503 1396340 1549394 221366 993012 732473 679755 676155 472881 308492 818587 2332363 4192037 1171883 2475384 799631 302423 552286 305048 1030183 838148 860673 689309 468630 1703330 1040321 N-methylproline 5760527 2313580 11019829 6043679 5176872 5821441 6486131 5506152 15683057 4629513 3615712 5856512 7369237 8324002 4752194 9067975 4326865 5551183 8574047 18670472 4026862 4219702 2772407 11305598 7008571 11512699 4546535 4641547 6747063 8382991 8867388 88752392 43107940 20192506 14612924 8436328 12740919 19788956 19348878 10035866 13062696 10532462 6307844 18550256 29822478 8813273 14980505 5040200 8261330 15310251 17050200 28202430 3046845 3675194 5934966 4342623 5084440 4433628 11355323 8048352 5009710 4424622 17775768 17613310 10099602 8359819 8352554 15683068 5934310 8860919 6935155 17445850 21032008 9060409 12745392 3253120 21940572 8500506 29055252 12875078 23034932 4359042 7503900 78882128 15585616 12177808 4858032 15663076 7340087 21847860 32007124 14329351 7376919 13667451 32040018 17710420 18708048 7334574 4285022 3849425 12611234 26470378 9295812 18596420 N-monomethylarginine 7465512 7845870 5107625 6688258 5058171 4778270 4693772 5935357 7424233 6261892 11127146 4202289 5924794 3200409 4206969 3877141 5854791 4802686 3079162 5605555 4025567 9999187 7481300 2928935 3185661 3907895 2792560 6401091 4062757 3057899 4668043 3352284 2815471 4391771 5167492 4364485 5147420 5931586 4833561 3561759 3528957 4563873 5113220 4412068 4353097 3749860 3953843 5930278 7032454 3236300 4579623 4825734 2926870 3960909 10231664 11272838 3741875 5568376 4007239 4413360 4328579 3582192 3322983 5325916 4680298 2610834 6146355 3592416 4119838 6405156 8660937 3562846 6043107 4451482 4648699 4881052 3053375 4223454 4732366 4216510 3697293 6527407 2135691 3525767 4028262 3741100 4440493 4388127 7837043 5127689 4152588 4498594 4099147 5704312 4319469 5755065 5086490 5052631 5821843 3545914 7100193 4623839 4361930 4200903 11049980 5115931 ornithine 669284352 623433408 541799360 469397760 499371040 656872640 716209984 669584704 599739456 538158144 889486016 637973056 384213472 832718848 899297664 426409504 819785792 752866432 562331264 704438720 530864992 727945728 599581184 415605184 470856640 561393152 368995776 526663584 658870400 492282624 1179305600 642924160 442146464 558499008 649963904 685041856 653590144 948820032 571069248 537991552 582795136 710976000 535916704 930144576 685557568 548681280 747728704 779397440 622110080 330274784 583538112 541584320 325317792 568027392 774728064 817402880 538601984 644692672 498453056 526840832 720556480 489068096 397184096 507069760 595117888 563189440 796651712 563496320 851555392 839985024 975379456 758983744 940066304 632906624 942294912 661285056 702563072 825023872 686457408 532855968 692595520 538492288 667775680 1178828288 738811392 453165888 737395840 839798272 1141421696 736016832 666010560 715422144 705356160 711635840 590249408 579103744 877058816 664313024 727658560 679328512 930947840 482774816 610043456 676847616 782219008 459159776 pro-hydroxy-pro 53099428 101143312 97634472 57406724 82961520 59615144 64696140 74854080 64062576 65777320 125188608 89840544 78260304 66057560 65822812 44156916 96963560 66605764 51922268 56893636 87652776 55489668 49976920 71823160 69729072 52451784 40393944 83194936 83865488 69837256 50492004 66670304 45209820 109495736 57863796 98511424 109306904 43731768 83474176 61656808 71994400 50717920 99560472 89212392 73032264 78071504 66080980 72738600 54748248 94583392 66472160 74334656 88961120 53916632 102511528 84580944 87804848 74306056 53953424 73377736 79700144 57932644 79221864 74811184 95916960 49727404 91637776 64797424 55278460 120594936 58849268 56713212 66432408 81423352 81890824 53893608 75682648 55106624 86430792 39427528 71216280 85624800 68969280 36313576 49540480 36572752 96174816 65182736 67400104 123221648 54195860 97324120 67132432 55858024 57183344 72373544 66796576 87486864 45691780 89226376 71116944 104668304 67736552 66334096 85372976 60101448 proline 3458565376 3575980032 3596340224 3037515520 3043732480 3539170304 4344953344 3867912448 3755874048 2917793024 3421682944 2915750656 3215007488 3013342720 3810934272 4326887936 4366761472 5245246976 3447958784 3051240704 3579920384 3650109696 2815613696 2994275072 2357403904 4695697408 3159298816 3423037696 3103983360 3322700800 2809170176 2641597184 3439419136 3197988864 3515456512 2894444544 4383990784 4707806208 4204673792 3975098112 2813412608 3916661248 3043379200 3791514112 3287173888 3621628160 4151922944 2702882560 3605537536 2724938240 4005847552 4444048384 3035402496 5439904256 3637674752 4927309312 3214381568 3838209536 2708169216 3257848576 4254599168 3409757440 2955574272 3936199168 2969578752 4003488256 3522685440 3223194112 4732454912 3772990208 4834123776 4785464320 4316883968 4229664768 5560615424 3984893184 2926857728 3157180928 3656995584 2861923072 3612520704 3847310592 3378961664 2646115328 2513897984 3689772032 3362325760 3067047680 4032416256 4169283328 3283866624 5115913216 3955951360 3198754048 3813603072 4500246528 3571289088 3317509120 4895820288 4060347648 4121553664 3241971456 5531208704 3281121536 4259840512 3473374976 trans-4-hydroxyproline 259090560 295382624 253902496 259177904 288311968 173497424 199531632 231716400 256886224 286758848 332254368 270793472 260059888 287431680 282355488 174094304 319535488 254038592 239090080 242245392 322273472 168953952 208934000 226102368 198900944 211523152 202929888 288268736 218161904 226910224 210153888 234888976 194915024 286333440 255342992 322140768 330263968 233677216 281243072 251605264 207259440 154785296 282071456 324488576 277004864 236078144 224839360 250720704 247136480 283841312 197279168 257918848 296413632 259348160 302976192 287957984 249423984 314255136 140996528 239021072 244546976 205718224 283340128 265135856 324778880 207699520 273115328 191408864 215236752 503736224 216961872 265484432 229727184 308240864 274166688 215680528 242947920 212202928 371558784 149901280 230292592 357779840 238104096 162838912 235572352 218504640 234117328 254973376 278072224 365019840 203954752 308828928 348212448 255314560 237880000 247408064 277183456 331038208 248699552 317967520 277189568 242824432 239566400 241879264 278071296 241543760 urea 252663264 137094816 226164720 186329792 226566160 322366912 293132352 290772352 127362344 322725152 698993088 304046944 231525088 221876784 264399616 350807296 342528416 305470912 214968800 350840640 255876208 383049184 276861376 351697184 234946768 329017536 151464720 157331632 274612896 273893344 269454080 291282560 262400192 245917648 314451264 285164896 259399248 299242080 366769088 240875344 184874832 211867680 190025536 312931488 417855136 371556544 304238400 178102256 325431584 269569152 279980352 308401472 331683744 504748352 449292096 379770240 217473296 382698944 289136256 203986592 252817024 347193824 387627040 315303456 218141232 305807392 293659040 423528128 353324896 364201248 276877600 386312480 377694368 193005264 421773600 290363072 354579712 328545440 342703104 274761888 326986464 471839264 300498272 169450336 178078048 222795696 185433520 383281344 520699776 254127744 480480832 653235968 227822448 335658752 176243648 511676384 207749952 352006688 322555232 255518928 371920000 414617824 364059936 330859904 616773376 395620160 N-acetylglucosamine/N-acetylgalactosamine 5663712 5666468 6000895 5508912 5995452 7230706 5663902 7404231 8008703 7139525 8421939 6256451 6868978 7089120 8699636 6356647 6461218 6471254 5429454 5849380 7430027 7312862 5874754 3384463 4918359 6751874 5841270 7516655 5479479 7095875 5658706 5723863 6247819 6463719 6664927 2324151 7917000 2847497 5771168 5924448 5680575 7819805 8050915 6969971 6139326 7581914 6156658 6395376 6450766 4636292 5770383 6998756 8837002 8596664 5761051 6755163 8264400 7695300 6242627 6151288 10271177 7183324 4912292 7773454 8141563 6418733 8787300 8069040 7675944 7277687 7427052 6374277 6741617 9503999 7318749 5782033 5423329 6811733 6815588 6964524 6223504 7237746 8767931 6567038 7225303 7650272 7893758 9352247 7316143 10450043 6775749 7480791 6858315 3491556 7759431 7220197 7462824 7180066 8125750 6504366 7441626 7140069 5416125 7076700 8897969 6843872 N-acetylglucosaminylasparagine 194916 150728 175003 159238 106500 185429 191828 228196 100609 219499 279756 204614 166862 163584 203910 192281 180433 210273 182420 176301 162381 98802 164315 145571 150930 210665 120580 102139 124871 117999 159870 139432 188436 209307 81811 137119 204551 218261 245696 174166 123445 175009 252725 215533 173460 225955 203651 151685 184286 193023 88778 153840 348756 224221 168238 174628 241228 205811 191206 198533 342270 166081 263653 290088 197737 161681 214314 144298 258212 235802 216369 197667 146521 188294 171509 133494 168948 177355 214867 113629 144588 182344 148894 143430 122185 189100 213017 99685 130390 242119 150760 236678 201376 151245 197306 197145 181327 279166 201572 159823 131149 211401 220929 203210 257345 279074 N-acetylneuraminate 5042271 3002681 3297484 2223016 2786603 3090512 3248305 3670774 3703415 2987259 3866304 3626235 4425783 3095760 4070742 4147042 3117175 3048751 2800538 3860749 4105372 3031153 2429614 2835897 2707852 4278715 3289766 4094544 3652843 2603449 2652519 2954785 2963230 3557803 2975549 2792713 3220915 2889536 3223285 3574502 2641952 2762052 3803615 3420050 4149491 3619638 3672319 3129904 2227404 3386486 4073860 4005939 4359346 5986992 2754438 3598669 4666651 4478910 2976756 3204606 5253042 3566235 2937688 3911151 4687378 3575181 3632735 4143040 5174087 3830919 3357348 3760530 3986037 4348907 3009528 3161907 2600029 2926945 4841786 3951598 4078280 3456817 3441989 2626964 3650734 4149127 4781696 4762035 2606018 3820747 3838050 3843934 4003312 3637390 3773434 3803593 3525239 4467714 4313274 3695265 2867307 2768383 3538509 5345240 4583927 3558459 1-methylnicotinamide 471093 987034 490929 280044 619946 864858 745018 400485 968521 253481 775200 1089041 452011 391010 201872 336819 751535 1543946 269380 1241783 1115186 978476 65442 734704 640321 850269 522302 285991 1059875 1340854 644862 1441776 98171 501564 630161 340843 299976 400765 278545 732005 948966 198529 258065 1113476 248776 1268848 2064637 150229 78742 188212 312793 296034 279139 1149511 536791 493484 357017 726036 1609431 507300 694026 301479 150770 771849 1097878 441938 241384 180319 269216 1056982 180147 2003290 1171728 387303 1605799 457015 469814 308688 889410 530991 127175 913160 951265 528722 484799 104736 2331910 2098041 2177409 218655 338888 910966 227212 445762 1249960 312774 393448 N1-Methyl-2-pyridone-5-carboxamide 8290524 2588649 5091679 3833957 4869687 7676773 5626103 10553620 2348368 2851448 9533592 11764338 4165528 8254951 1208933 4634234 3853363 5171183 1496815 11479522 8836640 13045791 2056709 3960202 8165882 1790772 4816022 5452336 6348208 6320672 4541068 9542842 5544106 23261190 2290161 7682341 5682984 4938272 4878324 10327168 3023308 2755307 8698784 7548834 5159930 10210566 11309827 8579610 6789708 7178085 10928834 3846437 3600074 10881940 4292729 8675338 6918149 6428861 6457877 9019544 4644502 1988063 6533101 8123153 14077428 7065544 7298890 1426309 2907525 3515756 5505558 2424083 11676027 5731679 6400892 4901794 7094114 3815881 6420590 5596857 14752022 5054502 7433693 5158550 3538518 1976957 7371397 6646134 1109624 7693929 4966830 10633930 3181156 9195592 1973630 12168528 7355836 14323220 6082723 6094528 8955607 7357947 5859041 10923938 11425537 7049645 N1-Methyl-4-pyridone-3-carboxamide 1015565 206967 533380 434725 371030 719991 636562 1143544 460440 1259287 1109058 552659 697890 290436 547281 447496 470888 1090159 631515 1621382 548422 733685 182261 545693 824095 618347 438390 1218074 437139 2275743 668999 462737 1322875 344655 1371552 588253 1120827 1284986 603071 747227 668077 847907 456863 1007820 478744 1353494 1093030 654643 595031 1010255 492434 669557 912035 2101627 950896 722221 93916 305579 335852 425257 252346 1812121 735067 538002 141352 204106 765657 701541 597287 1591015 876919 735686 960024 488342 815707 580183 489647 411319 1320434 1155559 2160311 959984 1135593 616847 919499 1187476 794284 548483 1369223 1084203 1001383 nicotinamide 1806224 2798459 1168465 1358433 839016 2084512 1819704 2636241 2329035 3245382 2436682 1597920 1621381 2104173 2144270 2652121 2641779 1225988 1380674 2593660 1558110 3580701 7959590 1881518 1438604 1726898 2267072 3105820 2808578 2023351 1971835 1239804 1515026 2156493 2257512 3990139 2886583 2126044 1257932 1922170 1236560 2851173 2844984 2558725 2586893 3145550 3415715 2705673 1775595 1005289 2640257 1955689 1408356 2122331 2769946 2175126 2219923 2814998 1941598 2382479 5412040 2300990 3010524 3429970 3561350 2436774 1511307 1111165 3778749 4303657 3504667 2949492 4885557 5648139 2427095 3826818 1916008 5586762 3394506 3170019 4767515 3675775 3733057 2042002 3271742 2319957 3231200 3766874 3706928 3803571 1908523 3510040 2889624 1954297 2922284 2035589 5074605 3533890 3731472 2923110 5139164 2604352 1818549 4404625 4224609 1643605 quinolinate 1542882 1861831 2455894 2345053 2657357 2565544 2145529 1217316 2709691 1902580 3556738 2745476 996669 1413020 2019271 3965031 1927524 1742768 1529657 2012984 1523207 1702925 1742784 2294303 822936 1765023 1810207 1911531 1434398 1322720 1808218 1581047 1308360 1937740 1556762 1499630 2153814 2195277 2186905 2678653 1233862 2380816 2398621 1615065 4625232 2404700 1472963 1740102 1814047 1498251 1997466 1729482 3390478 5936888 3083218 2326123 2633167 4227644 2845841 2821327 1889404 2588829 3155618 3478769 3206618 1867720 1938020 1928803 2725374 2615121 1897959 1816036 2542031 1287302 2111832 2530537 956657 1768271 2055769 3891546 1554928 1852050 1401630 1564378 1027145 914600 1739468 1899771 1162856 1953572 2175220 2560798 1512602 1950738 1385517 2719927 1593044 2169280 1703225 1888608 2791652 2333128 1534445 1565848 1352087 2226538 trigonelline (N'-methylnicotinate) 385709088 245911136 177881760 80145184 182703936 29869480 75466944 325993120 360475392 298094496 440308000 351091712 335153024 18043084 44041084 15265941 15019309 14679574 78386688 156529824 24557368 431642912 263129280 22060704 86609544 25703210 289427968 30634872 24627894 10914261 55739688 61886868 68211336 19801152 127340240 35824248 61239216 76389744 95632384 61040848 71968736 95147064 10017038 142765648 34065696 79309400 32325858 166446832 71305528 46772684 116571296 60619600 20171012 471263232 570397312 79692688 24556382 4304861 9486511 65379688 74923600 19164102 38257324 49606192 23842898 70833720 42149636 34755176 15598106 69820752 371552832 101639608 30683424 273353792 131888184 12101117 30258788 307086848 41398440 270729920 11452548 109758376 149005200 138089216 62789612 119512672 701000320 94254984 59783432 71434208 125991928 331676000 58230520 76273696 284277888 184161040 244640272 52689388 58364336 22438450 69385632 45529756 382411328 48723524 phosphate 10684097 16858494 19299080 12385316 19738268 19840634 12350533 21198608 27430218 16280036 18258080 20705472 19890786 11875252 14827369 20291306 35576068 12336537 18866374 23282052 32832780 20493224 13594565 33036400 24384838 26442316 30204638 21614928 55612424 28104494 35798324 44034632 25213946 37618808 25793054 39154972 26322014 35181044 21946886 34776000 26452506 22164688 32668864 47053472 40801872 28410432 28818586 17347860 18241350 53048276 34847508 27369142 36578816 40199716 26308458 26342614 21706396 28723538 29643188 21749460 34475704 38997940 38641440 34049396 30569254 27846200 19114910 27455450 28619372 47937660 24269760 32404098 29717482 43201828 29060188 15066163 22736798 27851864 44977780 18327814 63978004 66754720 47636236 30579576 41927188 36623132 45908880 52058488 44606756 28652522 46855548 40957596 43315724 26835210 27749738 37334848 34832432 49900920 24290958 48124592 52437680 37345532 40321296 47181448 36667588 43379364 citrate 86695760 73230512 82314128 80889328 75885560 80016848 108596992 48208232 60028212 84730296 72641848 64671096 71544072 97968104 81455384 54678048 86534464 70583928 71382464 61670568 79982416 55846864 52278112 67206488 61350164 82232472 57856820 71168632 49915780 102777384 81953520 70085040 68339920 68569640 60610188 80092608 71095680 84926048 80781136 49149636 77424688 70391824 50974312 72890664 69153184 77697264 80600808 72226320 76132616 96700752 59816788 66451812 87988688 78582216 72067024 81921848 79100832 80228424 107110616 82162464 40831156 81719992 92494336 70228792 71390384 84326496 70865152 62269772 65716136 81966000 60403936 70481616 64730712 71596120 60970316 45979592 58107204 54011984 70002432 78114144 79007200 65504636 76755264 50669068 52152336 53515900 63027316 50660440 72912088 82095992 89268000 67298232 75503904 78337512 62241184 46799336 57573896 61950192 64193412 78761744 62447248 71151696 50106556 64663232 56057228 53295880 isocitrate 1798858 2308469 1510748 1501126 1583088 1458452 2716305 1140865 870047 3870529 1718634 1433873 1462700 1885375 2033131 908902 1338856 1241958 861854 1926197 1836482 1203985 741532 326786 1144855 811995 766162 1084174 434458 1033679 1269360 1623628 1070114 732269 1012623 1569412 915343 1101487 923972 684047 941254 818699 592683 482966 510498 544649 781154 961553 4000910 3393681 614896 733736 1451893 405585 1353663 1378058 897389 1018457 1809275 924809 492202 678383 1353921 773081 1239089 861598 773624 441963 717109 730631 549793 885941 362282 377633 375107 564028 992748 528390 494156 1160383 961379 426100 780408 803155 491534 594184 504087 1082364 897491 1056815 1166217 649150 890823 783025 520341 575733 265637 424137 950938 898750 280230 787268 321171 906205 825756 699696 succinylcarnitine (C4-DC) 1652029 1953723 2082700 1686070 2005526 2410787 2232727 1385986 1065498 1956700 1705526 1930591 1857247 1875549 2137989 1376534 1330101 1217395 1553157 1616327 857832 1284091 3060607 1011349 1092318 1389241 1009633 2238843 1327537 1392202 1602517 1164939 1184944 2003865 1675033 1184453 1880191 1702158 2102013 3442612 1038263 1516990 2041388 1653652 1189578 1349535 1988067 1345115 1633247 799604 1601553 1732848 1544756 1715068 2044226 2235030 1499693 2698543 2096849 2683056 1981038 1430138 2423501 1851834 1696274 1601317 2130168 1965485 2138393 2270297 1174302 2182569 2612527 1677848 1742346 1823114 1683615 1749762 1759619 1780553 1084732 1763975 1054584 1388084 1141809 1043514 2105181 1363414 1379505 1826312 1692854 1842173 3664087 1242669 1130616 2362050 1144353 1861589 1675839 1926584 1870345 1925602 1354108 1446259 1986590 1414554 carnitine 2012583680 1748066048 2898345984 2012203392 2616994560 2423354112 2276098304 2264656128 2208544256 2903794688 2196414208 1578114816 1695017728 2848744704 2928195584 3052317184 2724911104 2921383680 2517118464 1654667008 1793525632 1790183296 1581465984 1311971200 1451769344 2043015936 965993024 2240600576 2154238464 2581620224 1396887040 1371528192 1411119744 2289425152 1483859712 1426813824 1891819136 2479345408 1935848064 2349106944 1694889728 1335686272 2047570688 446221120 1342890880 2198787328 2402227456 2005967616 2859633152 1645803520 669544192 1132666368 1384313984 1998167552 2601791232 2925269248 1962054528 2250724864 1946525952 1945346432 1650911616 1512953472 2561342464 2153409536 1661244160 1877563520 2810456576 2112087296 2459595008 2108016512 1962850048 1781791232 1802701056 2097732608 1500253696 1729688576 1468969344 2031440256 1357286784 2039682816 1122326144 2525170432 1242101120 1334475520 1071158272 1902165888 1588663552 1628443776 1542756992 1944905856 2359739136 2317878016 1846251392 1737741184 2216966400 431576448 1143049600 1633538816 1931960960 1958206976 2801133312 1706603776 721219520 1191112704 1120605824 deoxycarnitine 69291928 54703104 66986256 82519048 68749840 80628800 89794336 77410840 74241784 62063144 89691512 58505372 86369232 80802000 95991640 77317064 65935412 61350716 79281736 51433528 88227496 75000224 51444168 69409384 46308372 84035904 46726596 73469264 90087016 65951728 50801544 52815168 58410048 76615608 54961156 58989524 70236920 69507248 101828944 85515864 51990184 54568996 73686176 2353170 59857288 119032624 121853096 62098940 57894844 50989812 45791544 50597972 98943336 112087504 76152504 91365288 102283704 83543968 61470656 98546160 79912720 65563044 63691340 111720808 56743964 86511336 119895448 74544032 77027648 75666176 74323552 86641176 77649064 97577640 96924640 57673396 54996404 98497160 81707440 64589644 71856216 102426184 85057392 49887976 61726880 57149292 83808744 52711792 75050920 68188328 62234436 150225648 105850544 80392360 74355840 88189192 1948596 57317780 101796496 102184416 105012800 73163944 74835584 52478132 56261048 85172280 adipoylcarnitine (C6-DC) 366070 307729 936499 350833 1204659 961149 618669 216060 1009832 692244 2065419 534069 762062 824394 709498 1185190 670761 756631 809854 432951 738620 593324 216732 380588 294123 689009 149479 735206 331494 668606 384100 378459 678004 412198 247546 983999 425097 688719 597984 431098 335437 252032 368723 274095 632629 1486861 364285 458399 524669 813169 136048 272122 2299087 1832249 1794904 818580 2497209 1898808 3329156 1051200 475450 374644 955008 788339 403044 617669 618761 529570 914056 473198 471050 702266 562150 334467 658032 237572 676005 258204 633271 1188823 1952520 302379 623503 481998 246271 205949 465979 374187 426922 397603 631291 1170485 242810 573757 497506 410020 82005 230996 548508 312171 467338 527886 255173 289329 393278 814416 pimeloylcarnitine/3-methyladipoylcarnitine (C7-DC) 711331 436116 360837 849346 427491 832988 222356 380384 216360 460128 147934 211043 197573 314162 107687 120994 578934 384620 225500 346205 297950 203394 651253 650966 714878 966189 564499 305137 442704 371200 116466 746418 370021 262012 539890 281992 148201 175047 383656 201916 350424 432683 297051 371453 329500 421740 248326 (R)-3-hydroxybutyrylcarnitine 266070 733296 1106055 802240 1004531 902510 1105057 609912 1792551 910783 5536480 242189 1895808 1108243 628506 1266271 1032214 778135 5779946 294415 6302865 5915475 1809915 2074687 10425542 13548777 1909350 1154501 1076284 658565 739612 979412 297938 546036 9689933 411961 773545 280975 509042 (S)-3-hydroxybutyrylcarnitine 785878 725233 4744091 234656 249918 1475419 1536154 300956 1047631 4226598 1626367 873652 960106 678377 685834 988892 718502 430388 840122 380521 134215 928201 494483 1090505 hexanoylcarnitine (C6) 1375114 1491680 2560057 589689 2420803 2889812 1289850 1965623 4277478 2233219 3511441 1570685 2753736 3185775 1275751 3650049 2695754 2724113 1410065 2233833 8002942 1372562 1598216 3657247 2918944 1479966 505640 1472782 940840 4331745 632823 1085746 677337 2866152 640890 3133026 1681436 3180522 971562 1182057 2052127 999636 3739973 748594 2830277 9560671 2976413 1145514 1645426 7007178 1717929 673591 7036699 2897894 3072456 1643463 1793560 2011905 3737079 2435700 1311981 3433304 2929953 3500692 2159440 1954734 2640946 1683454 2042138 1617843 1657987 1218744 1983503 4978687 1148672 1225275 1948745 2875316 1786352 1390371 4155065 1196112 6190068 950418 729228 745313 1989024 2795776 1202094 1483126 1755254 1928146 1045525 1698711 902041 1847491 1638499 846377 1391195 1337140 3100002 871576 3460750 2322359 1222983 acetylcarnitine (C2) 293899072 354904736 561487744 340654912 386575136 655441920 454029280 480647744 379225248 518786304 726717120 359434208 617728576 614024192 601738944 559506432 443760096 727573376 391025344 479840960 1242819712 326277664 318718368 485796000 623998208 451880864 192172672 390018656 549648000 831086720 316543808 368865504 251350608 496315648 254823104 578147072 490366592 695142464 423129824 450949792 328021856 284304480 696129280 115314704 482053408 961948352 605425984 324547040 584786304 1000361344 242155504 190193136 805192704 383360288 537824576 280275488 571713792 442347104 863958336 421864992 347969184 383395040 526503616 700972544 415800576 362534080 494473568 406016736 517914464 455705312 354773152 402909472 444252160 664661568 394211808 297842976 337105632 397214144 375097344 347787520 977595456 260516128 652816576 242452528 196042192 199092448 468775776 519293056 368630336 422101152 452051232 559020096 536134336 394792064 397944576 429515072 64549964 445714784 345389120 423365984 346547712 419750112 276369600 398134944 255122000 203300464 3-hydroxybutyroylglycine** 280167 655069 473957 87686 220951 306139 238646 304411 365229 440898 248873 405625 393541 185822 1300035 389454 2479416 287167 244752 430093 420098 673074 289200 668923 461737 948789 385918 320204 313945 1711969 440495 539533 443441 315297 596963 1139352 1110402 2691985 302993 200365 1304751 363775 119781 1560819 355769 1009514 2144995 916113 2068161 702862 378725 633900 322259 340516 304454 355419 167953 509555 762829 153288 129294 801427 690677 330075 3438124 4832128 492115 227590 267392 427185 391864 470909 434975 372475 232792 433676 1028349 373865 178600 470837 433150 118134 262555 1003394 311253 butyrylcarnitine (C4) 11651663 8196057 13495690 9126079 9476809 12429106 9158588 15844735 10116674 11349866 11901739 8984131 8426431 8687604 15576048 15894982 10931000 12980899 14118099 10029386 12491606 5163430 9389319 8381272 9505395 11612281 4514412 13178257 8614275 10556613 6270832 6528104 5854947 11178583 6930318 7430260 11923724 13387707 9459249 10234772 27189774 15243609 11584366 2099485 6334628 17886036 14007528 9514837 11169197 15054427 5167966 5345580 12409278 12704119 9839737 11511484 5941972 9592454 10070231 7732935 11899286 7993464 13563749 8525414 9274910 7955295 14837945 14663947 15909577 10183585 7900214 14164614 9071737 12049425 7959258 6604311 5160607 9104245 12311240 7389839 10157912 11329877 11118858 4259938 6473705 4409341 12664186 7924602 9071964 7018311 10561559 11445491 18067730 24506838 8010916 16478805 2148789 6535903 11764376 8592698 8675270 14277343 10436572 8380350 9938655 8373825 propionylcarnitine (C3) 49920416 55861836 90858768 44370280 57240020 91656288 65726716 175036080 69318288 130488752 89456608 64800696 67121088 60167588 100514440 77255144 55803284 115718256 88536744 50025580 52256048 63926852 51543268 48446656 52987568 79374752 42266616 162742208 36867968 37096880 54099160 36741660 45340288 44973448 101572640 42656896 71489624 102017544 52041108 50935540 37065412 50687452 81549896 13971209 42717536 75979376 76799488 36820100 118996560 71919160 21269012 57627752 52543220 63190920 88412176 69768240 58624752 67261168 41366852 37876664 60674728 39935140 67984656 41233788 63046736 48174960 112083552 58762328 85473600 75078016 58594432 112147664 56168204 52236236 82171528 35363500 40231984 42096444 91754008 37028040 49991860 76501408 48194924 37512900 51846348 21387206 55875152 75266544 85924784 54821068 73529352 61782332 121773440 53413756 43459160 82281160 14602934 29294510 58685260 51013532 91399104 105600608 55006172 20162566 51550504 29367350 2-aminoheptanoate 4101338 23707340 6400407 10337973 7815439 3907167 3934609 6053746 12638258 7163918 8674519 7059108 6754204 7408325 10739812 5804429 6281841 7462257 9667628 6067807 4260519 6390751 7063159 10424819 7682217 5104346 12625298 6163738 10235728 6133583 6372051 5802970 6424851 3795850 4710181 9543302 8494728 7777195 5696342 8146096 5439072 5165708 11207245 10299426 9199563 7507796 6988163 7549366 5730611 7087975 8778544 6380673 10283814 3155618 7920087 3961408 9596350 7513839 4079238 11422252 11253607 9060576 5083529 7937352 13822367 13176427 14922104 8601883 5953574 3797963 10434323 17571370 7949311 4850353 9848691 7891398 7082326 16710631 3047282 7508199 6833542 18114958 6625590 7457992 4832126 10610671 6866239 4482128 4188198 7107343 7130699 8087776 6710207 7047541 10871556 3997083 15113142 12098795 10307219 7834640 5523135 3253531 7563680 11554427 7801067 14967878 2-hydroxyglutarate 3102744 1917312 2291465 1353243 2107724 1985750 1989031 2735430 2161800 3813582 3363252 2246275 2198004 2591411 1905352 1482618 1789753 1740435 1206766 1800714 2220407 2036105 3627446 1804978 1683238 2032609 1605180 2989894 2258098 1967916 1955588 2085002 2073854 2016720 1159538 2180196 1203014 1250227 1440278 1813278 1147723 2133471 2249877 2882631 1194650 2791320 2288630 3434962 2148730 2287613 2110041 1739014 1688170 1835434 1666964 2072845 2092031 1896742 2152839 2666037 3463204 1992522 3011129 1529470 2447917 2467234 2151130 1559679 1698961 2417083 1605794 1662186 1697585 2207548 1829847 2027601 1911782 2211758 1903029 2742682 3118016 2173219 1675042 1630612 1885687 2033163 2482731 1620446 2870668 1492685 1237161 2064503 1658627 2244760 2737447 1757511 2320978 1485046 2374364 2344993 1374832 1688757 1575251 2005629 2628150 1898440 glycerol 3-phosphate 429850 547997 602292 253683 608081 656880 412203 757181 540309 946726 1026014 784298 528951 515826 936587 590688 638732 461756 239754 1184646 1020847 777987 1272598 382347 373442 574498 659935 1147607 762836 603518 887731 790145 525717 954331 557227 892545 770251 417368 287528 446286 427355 609602 955479 1275496 818254 942558 884484 608391 928375 380125 922031 491111 494688 547432 538158 682241 767814 1349573 590004 581967 1391928 607390 1090871 775146 778437 504230 702850 733814 876685 600577 560315 754909 1011064 833889 590946 671655 434067 708540 617305 670566 1504849 1052920 886473 905682 949191 758262 996827 841161 768905 845621 300682 496308 590025 470221 392351 933882 820822 855877 709648 632295 601083 994212 457694 971842 1199421 566377 choline 439584672 469314496 416500096 300622848 345727552 612405504 512523840 575212352 595379648 669039552 858405760 547577472 594045312 608330112 638094016 607115008 506506624 526137280 486511232 732484032 666814976 781411072 744818176 449021664 396936096 642001536 593543872 728204224 625421760 537713408 482928576 573442944 526629824 548310208 564583040 622539072 561995840 569471936 542367488 533642144 396118848 617769088 527833536 660355328 464420608 682289920 614964928 559315648 604713088 394503008 683017536 481087232 514951552 573670592 613380736 692598272 674482368 827622208 515849280 581622336 799068416 663011520 737430784 722512576 717723776 530770240 767548160 580635712 775049408 617988480 727615424 690032320 659614016 656774784 672058688 734537216 458657376 711324544 655637312 614912192 734465856 687720640 758498048 674942272 636073024 618548032 779895808 865014592 661395776 770246656 653991424 701694016 435978720 534234592 713914048 585283136 583530560 688077056 707522112 574937088 546886784 633141952 625230400 739900608 772071040 554144960 choline phosphate 1571297 1365876 1616034 1032694 1490350 1238980 1671941 1270765 1945883 2588141 2561924 1430773 419556 2011047 3986948 1102025 1067312 1098940 1530915 1941158 1224667 2748643 1600128 1926360 1023695 2117790 1375872 2027258 1563039 2491530 2477249 1576745 1078890 1580299 1491053 804501 1196876 636736 1311950 583992 1256693 1947380 1782731 1851735 1494798 1050950 1629364 1047603 3553141 1093066 1077431 1327295 1637720 1443118 2408931 1233789 1393057 3414827 894327 2074830 1399018 3197156 1754316 458936 1768053 4483007 3418300 1862751 1609427 3179628 2162465 683606 1477274 1436785 1911270 1314996 1512150 4122155 3531994 1352918 1682751 2089116 2465079 1020084 1920875 1419689 984192 781358 854860 1214043 932975 2254547 1854997 2188492 2913607 3787998 1193407 1685157 1474068 1354453 1704687 4083655 2237260 glycerophosphoethanolamine 10768031 13104621 10389216 8118293 9279320 11727244 10864789 11622069 12947699 15436587 13125295 11252262 12249813 8576422 15217578 10417786 11238941 10405557 8238095 12129229 9743088 10609678 13161570 9460723 9809007 13852274 13365437 12383394 15033860 10862297 12210989 10511659 8863541 9559821 11006757 11825856 14273274 7051119 7853258 7793021 7737851 9970128 11714976 12597262 11793131 11146284 12396204 11498142 12149884 7047450 13373109 10121769 9277519 8459929 9543992 13719244 11785735 14343402 8860940 9082785 17125672 11170420 15045820 11710369 11593194 9416237 13652227 10791895 15861236 12683605 9077388 12290540 12693833 12691582 8868897 12742298 8361955 12717697 12171081 12264668 14786108 12909097 13414380 11157270 11826354 17806830 13101821 15249617 13364627 18091102 8603375 9312295 10748114 13842486 8172446 12536863 12048872 12150117 10844719 11476337 7954623 11598313 11211086 12811401 18302768 8436893 glycerophosphoinositol* 761514 988378 955407 504123 865452 721461 555540 997228 819424 945352 690959 866809 552431 937893 922245 604983 692997 511061 316796 659849 572514 562864 580255 399025 458711 889446 525760 1044723 696434 772548 842865 674952 723990 717771 777503 854899 965743 480024 624504 531417 628473 784236 589887 789071 671354 951599 867904 509592 760664 477901 675007 741894 454259 953438 936521 1714543 1107551 1210397 726123 585437 1302685 658336 984436 629175 786045 500874 1145615 1220125 1036806 794398 823284 689142 787627 554862 628921 382925 567475 509707 937274 812731 1295700 1135811 953400 701830 901277 660897 752904 1041567 986667 1142756 875849 910628 901916 672561 612904 989608 722967 781493 767707 778197 529819 731260 593242 815176 1334614 694896 glycerophosphorylcholine (GPC) 227598160 363064800 293971264 187733200 271081856 344482624 259965264 323013152 244734672 302383232 291071776 248458624 269339584 281203584 373707584 209084848 251799760 305888064 167863184 312181824 278728000 236226000 309923680 157690448 199545648 231416400 262000240 330362656 296105312 248238288 242838736 242629424 240987616 238026064 237062320 237063264 235173872 179033568 189008528 206731840 199718176 205724640 286121312 300788992 218047296 268367280 326968128 242071712 305220448 184556320 252995440 179115536 140377968 155815184 280752512 366993728 327430592 285271072 222249248 245389216 319967328 213797968 342528704 231717648 241588784 190804992 298153568 256599936 270287040 232668208 130900456 245014320 259055296 232392112 184242000 231207936 214158864 222935200 177239648 222638480 244502416 288563552 314104512 231288928 242592192 375343904 303697952 195849040 217228208 268160352 181096464 181136192 225410144 288372064 115875480 322610432 253245936 279322528 185653184 266912416 159790976 312732128 233248400 268146432 371460736 165752560 glycerophosphoserine* 222393 181847 194385 182050 164353 252786 237352 338036 462245 423118 271984 318794 239517 356761 246015 274358 215740 206429 182281 301642 213555 303482 373829 149907 151725 318182 299883 495648 293154 273809 259792 224373 179605 280468 307061 305409 487607 178226 201652 190619 186482 262049 311912 378687 235209 271927 351410 277524 213086 144928 293752 233104 240428 306193 126020 226203 569452 544211 292682 320302 576586 331879 455340 270883 300458 328829 546608 306715 526513 274420 419555 351566 289470 261917 280387 271401 231761 345443 344620 425405 599611 356456 318487 330038 366496 385394 328648 449749 421642 581496 262830 363689 240772 282771 273776 303764 340786 347134 359157 328451 227390 235115 234849 265614 562983 265774 phosphoethanolamine 378481 767528 574987 372898 1121369 746299 475487 492739 1231499 842377 117634 908428 762102 1032238 1940950 1844334 585561 759535 604072 1747050 218254 260919 666066 376144 857496 1377741 1716350 1075349 744483 462355 833059 2537686 685271 515359 611961 286398 472280 2036994 198489 3532674 1336978 621413 2316328 707137 1481396 1944268 2972993 2055276 764649 1995548 1831810 1681633 453007 706960 797517 3405475 3012648 1269235 1642782 1989126 343236 1080804 1408328 207702 1506921 1685479 847282 1790396 2986322 2906458 516341 1091904 881796 826759 1641954 2813126 1321856 trimethylamine N-oxide 59535836 66180664 115582544 40298548 32953950 64659112 42353704 214492848 61872780 44005932 110769320 14168552 89242080 21916432 76505352 115981136 59886540 89989808 60975868 60949188 42465488 60756880 38646132 14686288 53171212 62029968 81012272 103126088 37987552 38777076 74666064 45700044 42224980 28974632 68231640 39822932 65216176 55587144 96648776 77482112 42918812 51571908 46998556 21676262 75011728 67564128 29112200 21280456 61244980 101646384 41491132 39444428 94723800 138585264 97773248 153368528 21859554 101407440 91197696 62670988 66691440 36186684 45971912 78221440 91010216 51536292 51763812 83892640 54216676 58539200 30008640 51190996 38078788 40786984 58571368 14682325 33956736 21238334 45624280 79142624 68891792 98461088 68470336 50111428 61361240 25710474 51966020 47783652 49217328 47798084 80814400 78730776 126738584 81198088 51743132 75428472 27240340 54549288 40856432 30122694 53465980 60828252 67001708 51205140 68975560 47285548 methylphosphate 191563 342574 248381 219220 151312 213426 334792 284000 273261 137687 197376 143166 150038 376742 234094 148131 407174 391251 191024 152320 136475 145495 102466 160310 164941 359415 137297 271189 328441 229352 145035 186561 97146 503846 198217 378224 214509 163372 273895 172938 159745 170472 218238 238511 142467 182537 237224 221693 150784 327016 353225 196109 193836 194520 283991 237776 200056 177106 196416 179553 233819 343565 236865 189503 145433 135529 475499 158279 217390 349445 429932 161120 166237 197149 190438 91997 211504 160420 280936 198193 275149 179219 230821 151803 122816 122811 479742 173664 482401 257357 190545 263986 236679 143426 150889 235736 170566 216908 106050 339393 213772 172038 197533 188678 207138 138060 N1-methylinosine 1065919 795871 1065800 1072618 928128 1724294 1337095 1253065 1226321 1183523 1677968 1251649 1354439 1376244 1393887 1220607 749182 1083802 885692 1144198 1107063 1505480 1092338 885849 963882 810952 1196927 870756 810177 986795 920409 1089467 1307120 985415 870482 860203 1929110 1366392 1912982 1527436 1006905 1142317 1267125 889113 1222202 2006827 1148160 838955 1033259 982590 783781 936984 1783630 879720 758642 1081020 2022231 1003325 1135517 2088744 1745702 740259 1129516 2273984 1333572 975104 1186004 1145504 1261223 1064722 1067335 929635 1148156 1295558 1296670 1359682 1023922 1004468 1460238 1461856 907371 1687710 983320 1288969 983119 1098807 972628 853823 887105 1925502 1325487 2235815 1455303 1210076 1614008 1185990 1229402 1500648 1408970 933067 1301229 1404914 971585 526364 1143129 1712226 adenine 1186992 1058970 1070036 982441 1110209 1028581 930435 1843955 1032305 1084953 987522 726438 337540 1302891 956071 896674 894364 1037663 431380 1329132 567807 607993 326199 643051 511187 689736 673911 1903484 1066691 822493 833399 530826 618809 1466048 659217 1219515 1041963 824544 725624 634798 554988 739558 1256280 835124 858214 1031972 931394 1091657 1249531 977454 1699755 1189379 661675 1689238 868691 1336380 723085 920326 766272 861152 1075820 1247695 924632 1105560 809136 491689 910540 736530 710493 730661 1112013 706316 1184037 527464 643075 620644 1240943 424158 663922 756168 1101999 662554 427020 649520 648347 359331 1157162 781390 860298 1125605 585848 730184 1045989 637734 422162 1077629 549441 892244 796383 827399 1035906 1115600 596350 564715 770580 960040 adenosine 5'-monophosphate (AMP) 198743 145073 177382 168949 151937 142573 129593 128065 147889 184182 140320 150392 128675 105787 146053 133283 148290 110519 149483 171478 108063 126316 159724 137495 169329 147328 100700 172514 188701 124019 136354 103619 99713 213985 161161 119319 139323 145787 95002 107624 134993 145323 141574 108312 149493 108061 163757 127780 128919 133236 173756 130284 140933 159965 151971 181838 138452 146353 122095 127759 162658 149265 165697 142264 143619 104784 128007 139563 173931 163022 175653 162699 146919 193991 123088 179086 145072 111972 144926 179278 133667 144935 98797 137895 167387 99917 197245 129104 144867 142670 140985 122542 130894 124875 134124 143937 126025 131547 140396 148460 173263 141835 111725 160252 112954 142001 N1-methyladenosine 5589042 4994998 5131745 5472264 5429003 7168198 5334527 5687836 5969388 5520585 6705902 4504690 4538332 5022991 7136336 5142483 5083335 6456064 4134297 5450840 3923434 4024332 3948855 4046740 3810368 4454037 3300421 6244125 4258353 4237749 5129789 3376143 3778421 6175020 4715224 4965004 5742263 5381786 6352836 5143457 3880072 5122319 6052074 4988576 5039764 6033502 5689454 4087172 5654257 5349172 4898231 5485361 6301967 6430080 5284900 5338910 6077634 5571266 5906900 5987735 6522707 5953256 5225990 6247755 5602214 4312356 5409557 6758993 5071506 6133361 5794805 4519878 6732404 3755769 4360581 6087131 5290662 4055069 5328075 5102059 4580295 6410917 4034772 4229966 4403248 3198896 6045784 4675445 4964587 5194962 4344615 5137758 5287750 3629785 4259385 5096163 4726769 5519443 4973377 6021064 5061053 6080494 3684439 4439276 5300501 5899199 N6-methyladenosine 103377 83874 168359 130203 70401 68665 126059 221863 99631 96011 124803 113906 215257 7-methylguanine 8995206 10034904 9475082 8041639 8029325 11596158 8951733 10105668 11715137 10283979 9876873 8385266 7347625 10227020 12689252 8404640 8993870 9754271 6212791 9044106 6288268 7607758 6482469 10247855 5450679 9935681 8296120 9383329 8874596 9673274 8347742 6384483 4875684 9231288 6625189 7790812 8764527 8894993 11640695 8926880 6943731 9888454 10441772 9596190 12296938 12382247 9195694 8421556 7576960 7367005 9072886 9792169 12322288 10844472 10792694 9300246 11285602 9305744 12511660 12035891 10961020 10087159 8774002 13152734 9766426 5775575 10919881 8933908 9193116 10834333 9598146 8072137 11858547 7197712 8291537 11276478 8093127 9480171 12513050 9456799 8977614 13032796 11644305 7628029 8529074 5478606 10067173 8260381 7652554 11631417 7744385 11055471 8626361 7299470 8676896 9257230 10042171 12524756 7459925 9019415 10731994 8522599 6052813 8489682 9202064 9630966 guanosine 1150709 8405697 3213547 10414958 24022498 673474 1757631 5353932 729206 5512241 10957169 1274512 3958016 3698831 4580529 5519104 1311241 4019222 709956 717915 996307 260670 468102 2132947 7930838 681770 462620 3609765 6724633 1376293 589315 1358741 6050855 52221752 3338025 2879298 236779 410052 2999036 212396 2117370 1257597 4530479 2828842 6232718 1672197 1743799 11189362 7471543 10241938 10381368 6806819 561206 319172 1684436 1227391 1774264 5191523 1070183 1996192 2701458 656902 2588334 3703747 1306652 1962871 2838300 2936610 1802365 803962 2114507 849209 1437956 1638670 383705 95814 3815393 204494 2093577 561292 7847457 459708 1760659 736255 309439 347137 7008567 419058 2248438 1030690 139443 1439472 5793660 1092212 1498774 9560249 3345704 1350778 3453033 1823595 2087652 1030574 12424514 215289 945634 1382648 N2,N2-dimethylguanosine 928537 795095 876315 719881 760550 1167257 900536 1241705 871133 934406 1092575 918754 750683 863340 828105 741187 786146 801515 550472 801092 695606 789896 665447 754510 610175 746405 690917 935808 607906 825009 674183 722231 501985 720529 583127 776199 948979 706000 1167639 849412 684500 866535 1247539 904184 907461 1117517 687912 736526 776974 897413 704911 823092 1248715 897116 772869 721623 1124951 766927 961181 1368830 1382555 802251 827087 1283784 888909 737217 1168719 738451 680476 904287 772045 791158 1004644 974339 866978 992602 850776 801883 836331 912898 655976 816783 786079 797700 897030 587040 749297 861153 733968 1188272 736703 962420 821882 843060 803487 1041432 903491 923559 872853 679872 1017201 1020709 604221 721478 893070 883952 2'-O-methylcytidine 2800801 2528001 2057374 2418205 1810862 3493443 1914549 2423394 2609416 3022802 5097632 2394327 2807205 2575257 2978786 2696773 1559263 2512686 1610878 2330193 2279949 3326469 2733849 2865818 3017909 1815892 2264249 2841082 2235922 2521930 2922904 2355352 1763964 2954427 2979979 2777585 2324585 2452092 4136340 2873741 3344055 3290411 3366926 3429121 3092752 3550836 2120748 1603675 2473138 1674559 2039767 1824899 2701654 2799173 2646124 4013880 4193034 2871297 3671036 3211014 2659557 2526784 1440947 5318400 3390427 1724277 3478939 2877471 2011811 1855302 2637735 1611418 3804260 3219894 2484311 2004478 3003025 2133187 2532145 3677624 1330462 3781896 2727489 1935708 2668711 2236971 4418612 3345827 2110075 2913845 2278467 3313096 1761778 3475501 3565986 2841223 3545274 3484690 3102759 1804159 2550732 2209346 1816855 2049502 2533362 2861668 3-methylcytidine 436600 348684 281663 308228 510296 414379 264897 590477 466959 374643 328109 201831 306255 176437 214752 447466 235627 278005 210958 81053 104014 336708 184277 319020 92313 97919 293883 193378 225725 219060 224834 560803 420858 327793 533030 190938 329333 245247 98330 419246 507102 336106 316065 313811 353079 352965 331238 246498 333343 485200 294013 276141 309510 234754 465949 423721 460754 458151 227465 355370 441681 270552 352803 334443 148877 404905 487349 324997 353446 477710 252343 219468 333623 520143 148451 403378 215405 269469 389978 114350 201320 271366 308100 377010 761791 213401 292950 341337 148145 470801 322813 407298 360369 400175 506452 296483 151665 413656 505896 cytidine 431346 478685 517742 558441 321242 555493 462997 551835 539852 768151 699694 431562 331897 507570 464714 415282 241518 365026 246317 440743 248370 937718 466165 582866 611705 302601 616139 505852 696475 366331 3074193 1133976 378843 492239 169384 320569 762761 214249 449181 377949 351145 339041 486709 370176 462141 514314 311901 506894 285719 619885 447181 226335 440527 363827 460278 635284 811436 368614 460471 672445 750509 354773 691382 608028 401220 229978 676080 451765 364917 275840 448715 227134 656750 428574 599675 561506 670339 283361 751755 830720 402286 459968 365969 482723 390380 442989 826222 239854 278528 847439 301668 453026 330259 383948 340094 470269 465386 494582 450181 291893 633299 358207 503848 266706 312970 452882 cytosine 617648 385830 768690 145212 755618 313100 301262 393215 584863 319830 146283 153288 847101 382254 320746 371556 112834 175862 380773 355409 156013 87260 2883060 163536 1048779 612547 1792774 206218 186288 524555 253598 606763 572087 782944 207171 224529 149450 670347 567152 128737 251842 265897 409008 468446 415338 238606 221538 202311 434404 152757 200485 137777 159612 531673 847583 283721 279629 283706 275659 905343 258879 343474 421687 239078 232066 1586559 740276 323128 155308 712807 314396 873619 361047 641836 579418 395893 765021 696922 531434 501255 393529 693850 282361 440838 165012 394234 427357 937495 3-aminoisobutyrate 33744272 17528872 15236906 8420180 17541226 68522152 14648227 13318896 17860112 4903572 72023264 5842056 10788888 7329175 18534956 18025062 10579898 38434476 14571232 29889246 33569116 13099263 8848109 24557012 14977411 7681240 5714181 7839750 11935268 10346132 10569710 17280184 11395009 6310887 10589610 25311326 22838838 26132192 28883416 10746788 20630816 18994736 14668031 18494216 30621056 60794356 91060368 14184203 10383021 13617058 20163356 23700728 64887320 48165256 18079904 16554048 16775233 16506093 74236352 33289764 9196803 18119034 5961530 19657142 9690294 8866135 7897745 23645554 12673184 15612621 47036168 16909658 30187832 24687648 16793710 13371427 15467889 18251946 12303690 5010156 11709379 51314868 12802296 5540466 12226182 9263268 6709141 10710756 14389979 21316956 23115964 33092702 9353267 22540296 17619462 7724795 16877446 29569474 30733288 66318268 41569532 10494246 6318673 15762159 22168964 53338836 3-ureidopropionate 4057109 2554398 2369426 2453881 2136268 2773150 2266329 6735887 6177155 3149555 2153059 3698764 4476646 2272009 2707400 2746209 2629051 4362636 2393884 1907131 2734527 4312836 2922183 2260566 2443737 5278258 2960430 2235520 1851502 1193339 2938863 1886953 2261092 1560284 2110447 2371185 3807887 2588035 2467790 230070496 2415197 4047913 1571685 1812034 1682310 5174127 1524566 3471998 2003096 2566418 3411589 3008034 4132959 4053648 2592847 4955323 4172173 3189164 2315315 3164445 8253130 2800513 1792884 3019122 6251217 2806844 2553955 2740499 2607010 3565519 5775074 2570898 2581709 2033715 2857532 3069625 1987676 1550960 9911403 9607540 1433667 4557846 1465901 2701896 2789020 2885443 2617652 2558937 2610062 5873841 2498941 3111020 181997104 3059168 3913399 1701123 4628118 1779097 10919954 2363462 3151941 2330782 2531836 2967769 3353981 2577072 beta-alanine 8568670 8219735 9805282 9255390 8335765 7904167 13448227 10877148 6667748 17892116 6012783 10530852 9268109 5534404 9538616 8349606 7297192 12643856 5632200 9080240 6975507 6711067 7959755 8125723 6597035 6691249 8042568 8863119 5388705 5929176 8257291 7868649 6653807 6558987 5566967 7421695 11026786 8312690 6503113 8150284 9773909 9983796 14321153 13059611 8257291 11696197 6547838 8248336 6371596 7491625 8137579 10256280 10589816 10084508 9446199 15483815 11408169 8935036 10632293 9848095 11599145 8035096 9738481 10274759 5788102 8738629 11320449 14436299 11804671 7719995 9837916 7487211 7176538 6652738 5493777 8790675 23652514 5126396 8423142 14019709 7074762 6521252 8894490 9188548 6502614 7288673 8465529 6204381 12847968 4753280 6907949 20901682 8403689 13290320 6262558 9856217 17582012 7406485 10128159 10064549 6763020 10943990 phenylacetylcarnitine 965312 652005 2755284 421484 1272859 796790 561458 1082874 584506 3279558 5262528 213597 2337971 1839317 5410953 23659096 4593412 2309094 3738005 435810 1744035 3735093 2836926 194208 1777266 1568593 539498 2243915 2281106 2912880 1170293 410379 838934 1375331 1219661 1297566 2844151 5679768 1993009 2098441 911176 1212841 785075 1045745 4443328 3019290 585200 371234 1900020 154493 497726 4599970 4479857 2893119 1945653 482996 2900646 2561471 961642 399270 692806 1926270 667596 4443673 2540310 3345034 7256843 7117396 7577966 822597 2718003 528370 368026 2119513 915343 274700 581560 3892933 1885368 4865364 4733030 5323513 374332 577181 205328 2422357 1347165 236346 1040709 3329920 2492117 1396545 254687 5485413 1504395 84945 1135145 1487230 716134 927704 1821588 318047 1640451 1766005 glycylvaline 8722945 5188086 4410056 5632048 3136367 12690367 17115218 27547430 13642841 24837038 13609856 30892546 13500650 36156936 24979508 14728875 11206304 56068456 21935864 58295052 26675562 36063736 39865796 4388346 2966490 9874145 15524151 43633300 9586299 7876527 5390890 4365900 4693178 17273886 10830958 8480478 9614895 18762444 24964622 18703696 8910902 12270192 13304725 29133258 25454848 11535690 31192370 16408004 8591270 12426780 9726069 4652387 14323833 29381784 11827332 8004835 25535348 17120152 5811330 13650075 25216814 34660744 33143458 16085062 16690534 14204580 27458286 13564000 13004186 5838573 14158483 19934598 17178444 14139480 19497884 21836228 3889496 16437193 5675298 8870500 16839510 8099939 23835816 27415432 21387860 23312162 40125520 42436968 6545576 11172093 28775032 20153284 14579435 11412463 10799283 13127470 12934078 11761515 10485052 15703146 8986411 16774172 13488653 41702340 18183678 3294925 leucylglycine 451814 348686 594270 202279 491828 235677 637497 347114 343776 480816 245221 513173 347172 236765 301396 380984 206871 238234 175963 119659 557674 319800 542340 402661 324400 443302 295687 222157 387175 180574 560016 93353 446182 166614 313712 324294 273358 916493 997498 287865 385865 523378 451607 213654 468399 332161 285225 231632 435078 284524 405891 169898 311457 581697 454825 533442 540637 645550 403082 477207 300298 284016 218784 388746 359018 590838 63763 439218 277409 252226 208681 428542 617039 278529 267179 420053 425606 873146 238980 378847 406713 337229 482016 364849 385261 885773 392045 1047362 272456 phenylalanylglycine 240140 254959 290021 105144 168819 172507 274024 345959 196804 391887 448363 290905 362234 302321 372682 324540 201404 207786 106926 159852 293812 172605 527787 192829 360414 333701 387336 284038 220024 129172 205410 254917 394746 216826 117002 216250 302248 427519 513455 199321 336421 414108 454912 364137 149869 369272 134151 254821 94190 421998 248502 215522 195230 263507 304452 439049 335841 503906 477342 631172 439395 271520 687268 483462 284066 311297 382857 268749 275854 255737 281367 250836 586404 160268 175913 90897 198135 235499 505297 442274 411899 196089 277502 260822 506987 253165 318211 209801 347695 203771 324940 407351 248912 283534 87763 prolylglycine 777352 942186 999567 684789 633642 721848 1088906 999886 779203 1136306 1557740 697309 900410 1117844 1343322 698816 851758 1095949 434164 462591 424149 697025 1076470 798084 587071 996624 385372 709764 877401 578095 898731 553886 736255 627314 685246 840535 921612 1248811 930011 1000793 579364 1002434 897411 977404 909437 941418 1163443 750837 1467432 285405 957760 957635 902969 992861 1132461 1960447 783613 1289076 668786 760328 1601312 847675 1572232 590530 1092949 891486 1284714 1181055 1098531 1094850 1057562 728353 1016290 504454 668114 1013405 896348 931279 705580 395040 1185127 1348540 692725 564361 524697 803439 1001642 842643 1488573 1423024 841522 1400189 1264720 980799 1258494 1060431 1140887 974896 1349700 1843768 853539 1147216 768238 1172148 1521633 880414 gamma-glutamyl-2-aminobutyrate 94102 254137 204985 499440 179724 242217 390127 754746 861152 733700 230062 423501 246930 136753 208433 1038400 386882 521949 69028 216071 430306 271715 834269 661122 457463 270732 191724 231813 257788 204534 563031 599878 154154 265743 1021116 810977 571152 653255 557171 613393 247455 670867 549470 885752 819992 709252 413317 904245 369189 656960 732331 471828 1052968 385607 709347 928594 246712 531081 707637 689093 246094 532036 335219 433036 256811 567561 388018 477422 490549 374010 336557 345712 425363 853309 600677 193052 958349 582957 441212 103933 1214872 510310 393210 428858 294872 855202 405714 525810 899021 471154 gamma-glutamyl-alpha-lysine 3300745 5400833 3840515 2034652 3895374 3307463 2891544 3907614 4491081 4357915 7735395 4633540 5063443 3588012 6214062 2838958 4516051 5226557 2837715 5248018 4553464 3658169 3359748 2358966 2074843 3423451 1733171 3746111 3110374 2130544 2694604 2203189 1338372 3511550 2681543 3834389 4024412 6426561 2572313 2827438 2762775 733219 3456318 4750124 2973654 2120962 2590440 4048097 5551770 2759596 1532163 1528653 2014235 2939448 7923167 6623573 3107560 3456429 2787802 2591000 3105095 2934785 2957998 2428484 4001398 3341461 3357416 3047193 4411328 3856490 4773133 2130632 5146771 3045625 2126816 2361674 2587055 3675161 4389647 2736872 4420703 4188060 2497626 2787918 2384414 1474699 2738557 4487536 5043422 4261215 3647997 4116419 3970418 4642395 1945503 5785983 4236720 2520904 3708990 3310829 3102282 4043709 1794195 2397943 3498643 1686391 gamma-glutamyl-epsilon-lysine 555597 816116 796911 778930 451506 608641 375583 407525 379752 231387 276161 613034 740935 534233 652447 881999 688303 402257 638301 435104 557731 693216 560676 641874 365067 522332 587671 449391 515640 1043935 497225 622841 630896 642085 766676 447538 gamma-glutamylalanine 1440009 1054584 1255616 1010164 922944 747120 781419 899662 1437833 708001 808959 1034713 1292492 786220 1441813 241347 1406942 1242568 1111405 977106 943340 388711 573650 786435 265965 2178828 518834 958947 869301 688661 982674 524902 850827 696629 874945 646203 1109060 1159103 978791 782833 381489 406236 647253 1829100 438813 312666 767609 1861529 1682843 554557 878388 1338682 346448 1011508 751713 1083779 660073 647130 708089 1007023 565576 747908 273903 1112411 1166542 202242 912297 608810 1350806 881079 1133285 2145201 541268 910673 701521 732313 495515 809411 700429 624425 906775 541972 477490 492533 552203 527395 1234891 1414019 649649 1362846 1074959 978152 766348 498941 776103 851905 703977 898248 2202040 791236 1335712 425830 1150715 239727 gamma-glutamylcitrulline* 990911 1710515 1703539 1460009 1029819 2106037 1698917 1434468 754121 2007958 3485309 2694993 1624801 1829184 2312706 1066909 978858 1169828 2391315 1187372 2073468 1064743 884405 1015302 2383250 1079976 839258 1044064 1106658 1779360 1207204 1560981 1981025 1621399 1906861 944521 1394589 1214795 1689883 1102948 1494237 868194 1759905 2128613 1277228 2354702 1279513 2169840 1567841 1336013 953426 1301210 1440446 874678 1625232 1697006 1369205 1319146 1440198 1141219 1397094 1242909 1443298 1736613 1765407 1978461 1847551 1012944 1330366 1116383 1261024 2086756 1338475 2045525 2041680 1077437 2183150 1416575 1103118 818051 1397303 1679787 1572026 1579131 1161215 856169 1265255 1284458 1641012 1445804 1319605 1414680 1677182 964034 1805984 1218003 1535015 1753990 2033622 1707986 1763961 1217027 860888 1661807 gamma-glutamylglutamate 524162 724173 963889 406548 323207 935754 1204361 1099526 1141791 1530259 1253020 974165 924419 968191 1230512 936442 757393 1205963 755006 1434386 1617213 1414900 2493809 515825 392078 704741 1218304 1517339 810101 714672 510790 876811 452128 702155 959969 1470044 1101777 1084914 533731 692668 738689 664105 1558468 1311045 959198 481216 1466066 981802 560765 659259 673953 1177483 858654 1275468 1197420 1701434 1539700 998366 1390453 2803953 1157561 2355733 1056582 1364034 1332390 1600865 708979 1753300 1167306 1281839 1035390 870387 1887645 1070175 591295 2717000 875164 1170831 1955536 1209013 1321562 987484 1283451 1522741 1647859 1734562 1405252 1601881 1290097 945770 1043287 604572 472386 1685053 1028364 956308 718686 1040765 698318 1401671 1226192 1586340 1766847 430409 gamma-glutamylglutamine 41501012 80922528 63555932 51791680 63879484 62348904 62655264 49736152 73405136 60261764 57156360 66917424 84016392 52061956 73131440 40025940 62653100 90272352 75766976 47513496 73830280 37459328 35194812 65775464 51422160 60028784 48467024 79279408 56119216 59745212 56484452 56358028 43978472 43165508 60962984 62875308 69524856 67484088 53073804 48384560 57292028 38726308 62899700 70042896 51153696 50539236 59399340 58682424 52523604 52666900 55778220 56950136 54662704 50558536 71773632 73481208 54593672 53212576 56533928 62464132 43347740 53206376 56353260 51556564 69492168 71685000 46752932 41444960 55725972 57905424 68836136 68929056 61648808 63818480 55944468 32123762 50706980 59777296 50215896 40168568 54864932 52167320 59071040 56535164 53315272 49438328 37644192 42428048 59269576 65576120 46344108 58778844 63633104 51861656 31675086 53583536 66043564 44084832 39650484 56810044 62038496 57781128 61732108 56746584 45280528 39066996 gamma-glutamylglycine 5638509 12842447 6353165 7359815 6064033 6890190 6482413 7411563 9153127 4847478 6545072 7913038 10022426 7691126 11785472 4695373 7475866 13780699 7891286 8689727 10271899 7192668 4046954 6021398 6717308 5665845 7026811 9972562 7937960 8043132 9998905 8795160 5301162 6857469 8710425 8335005 8889484 6775818 12949143 6950904 8269901 4743226 6748105 9865782 4896931 7022329 6800228 5268239 8851180 5331601 4634385 9306497 3862728 4678595 8724138 7991060 7112344 4899466 5058484 7873769 7201342 6317678 4047906 5723899 8238417 5891075 6457427 6464228 5270495 8312055 11077875 8878058 6901209 9076420 8516229 4499696 5875269 7738861 7147258 5140235 5477935 5964561 8378236 7048669 8309577 8863604 7778599 7288447 7280157 7270257 5033094 12493566 9030057 7565857 3744432 5980514 9141683 6580687 7603328 7608252 5565151 5165988 8571557 4747598 8875815 4296984 gamma-glutamylhistidine 698395 626712 819898 953383 887077 684113 579241 993169 878772 910548 1206313 973869 996461 683231 1024098 578206 900444 1030339 876447 957843 981216 643321 632078 1184182 651588 1045310 672372 911439 464820 732024 979661 821758 550149 868782 686713 1167581 1082641 1320646 755509 805506 655645 565733 753452 950940 677834 950348 810068 644572 1022037 864198 701895 937751 778941 941403 818618 1173320 773050 921877 575231 558045 702233 642755 673248 782499 1205525 755611 718579 820307 1103207 1232948 882763 982604 866037 856781 1365735 572965 754054 831433 732714 545510 743853 670824 966246 649730 905109 460150 699040 1093438 804348 1392597 811770 1477861 1141899 796218 347385 793178 608462 886447 809595 990257 964849 1090322 810010 906334 779453 655789 gamma-glutamylisoleucine* 447569 668976 540376 425219 412219 599159 446213 553778 572605 511101 937815 672427 783412 508765 798159 394338 562831 708379 383528 667646 511050 520197 548048 500753 396721 585886 329941 456671 497712 548867 524796 403223 370874 584181 554618 525697 526296 827410 534493 456596 429778 294377 560246 700548 628894 440257 594461 340751 688876 298749 390992 552169 492151 725274 972550 1096570 653659 426873 509437 511543 530015 403924 529998 462748 594778 560766 417324 493344 733734 457310 583258 572464 682879 497350 700056 433338 513560 589948 662906 339713 642704 663618 548110 409581 405674 452339 725384 650335 947922 578785 443663 508261 752496 695662 209070 869043 753853 372964 464948 662785 461104 613810 268685 535664 765855 313237 gamma-glutamylleucine 1413711 2647359 2486366 3192513 1820899 2790206 2143824 2568590 2325534 2383976 3983842 3164592 3064746 2013766 3659861 2184191 2503839 3110489 3119313 3335831 2185011 3006334 2045310 2123717 2094941 3931746 1372848 2700280 2152981 2274100 3285041 2319652 2811503 2826417 4716774 3388638 3685518 5180311 3806601 3195519 2492309 2239313 2611784 3361821 2236265 2402138 3015933 1549929 3487639 1506636 2088469 4996655 2307935 3202537 3959915 3789532 2823554 2288670 2580618 2323693 2794606 2521798 2665202 2268024 3153544 3269330 3450408 3058363 4583616 3076406 3104798 4475502 4174401 2799578 3449678 2276950 1808395 2433287 2634044 1845281 3054985 3097221 2184662 2761199 2620224 3629091 3255928 4227996 4707063 4422894 2892955 4033349 5148238 2357198 2074700 5163627 2955962 2738260 3527900 2790981 3609684 3167468 3173719 2186565 3099173 2288413 gamma-glutamylmethionine 4250789 2280792 2144931 2441222 2042125 2099352 1460374 2318749 2333131 1998066 1998837 1938087 2919538 1808205 3317779 1384133 2739339 2913036 2154047 2180876 2333605 1180409 1071507 1839918 1231156 2889514 1424898 3276337 1899155 1930922 2666469 1865258 1240970 2139742 2248820 2151892 2653014 4552516 1605214 1791734 1992311 1415420 1803213 2581195 1518691 1632531 1690548 1951659 2812243 1653049 1777426 2776484 1379212 5169158 2135829 3354489 1930182 1763231 1351204 1632180 2405278 1937267 1808687 1619107 2477014 2733427 2151275 1560260 3036085 2311423 2080926 2362024 2424188 2239117 1575191 1377579 1392304 2153757 1818977 2357301 2059837 2329946 2054988 1688713 1939682 1412622 2001746 1913716 1964288 2615264 1447786 3252266 3153159 1709544 1437634 2903750 2019293 1498802 1536333 2398428 2310845 2427246 1959605 1842270 1484280 1572864 gamma-glutamylphenylalanine 757229 955777 984107 880904 1146681 1589493 1078558 1393516 1014555 1090075 1676445 1402623 1734192 1107643 1264673 1009919 1078869 1271819 995182 1291388 674703 1383173 1048342 1084636 650065 1337411 741652 1007015 628642 864516 945743 927706 1094086 988187 1245318 1083192 1333076 2015064 1597576 1154594 689848 1098768 1079865 1406966 1196972 1263257 1137891 621299 1352401 514908 769272 1314468 1318337 1751517 1823879 1468150 1194274 1114374 856666 1034441 1359999 1038677 1098661 1271647 1438099 1397800 1717219 1173734 1556670 1258516 1439220 1603320 1552638 919153 2139399 4167036 655000 1227260 1429069 1176153 955852 1751917 844894 717512 920824 1103971 1437120 1346365 1889746 1605030 1369813 1730968 1781159 1505716 758217 1777079 1750389 1040232 2074780 1284830 1797988 925610 902211 868975 1745538 1752534 gamma-glutamylserine 1877645 3929688 2721206 3209665 2829339 3093074 2498423 3417582 4979575 1911157 3167805 3090363 5961136 3441267 4673684 1771530 3528347 5437865 3992081 3053761 3841831 2776770 2463172 3391512 1631565 2836942 3576989 5694785 3190005 2648076 4265910 3485627 3416635 2607830 3322666 4274891 3762170 4384098 3338593 2384861 3190817 2092257 2633750 3208655 3010605 2756331 3655817 2380058 3468998 2523613 2919274 3326150 2295079 2566635 3513643 3453653 3288301 2669897 2555447 3568303 4130191 3020640 2324813 2326275 3246612 4584623 3069113 2335251 3750370 2940887 3620662 3068504 3007942 4167450 3288982 2354388 2517641 3275439 3100552 2708243 3474482 2581934 3103816 3660610 3643209 3710753 3589517 3417367 4090391 3042594 2597980 3538788 3958608 4000745 1846994 3276592 4121876 2765838 2402225 3021753 3178755 2586623 2818842 3455178 3003880 2230117 gamma-glutamylthreonine 1509383 1815485 1924077 3247698 2151112 2981983 1963309 2659832 2336911 1415665 2392817 2922452 2433115 2476803 2436068 1189266 3168076 2410160 1744919 2964697 2106133 1612034 1423629 2072922 1062968 3051966 1344440 2703160 2425807 1844654 1728923 2171702 680891 2191306 2129058 3025970 4209994 3196705 2107282 1971724 2205985 1231822 2639046 2924710 1684164 2849119 1935060 2545579 1142025 1105693 1884024 1352418 1767243 2636676 3033891 2662714 1420119 2324128 1948991 2741218 2469029 1485066 1759333 2401377 2302132 3105391 1439358 1859330 2341698 3006008 3515277 2589636 1940703 1192008 1856314 2382003 2575846 1186896 2623378 1516017 1585283 1907262 2556775 1258498 1770555 2643579 3925578 3595748 1710196 3103869 3585458 2946168 794264 3715116 2754586 1992653 2728263 1916375 3601757 2610091 1655427 1230608 1820570 1456254 N-methylpipecolate 9225925 5990329 10388550 7157696 6147672 35568816 12248037 9102815 9775318 11078278 12924308 11390228 18741736 8423701 9657720 6654861 3926171 7586586 4623240 10671288 4079204 17118826 7821344 7754736 7413445 5026949 4079509 6105558 3190498 4429283 3573774 7274780 5572486 2386490 4963931 7046333 7084745 6256930 12843650 8268108 4383100 6623862 4290917 64465656 6129390 15459276 3506987 5282148 66894640 10376772 6233056 4787640 7696586 3769446 7749300 12635687 9196437 4283557 25187476 9537162 5909586 6255504 3564415 12484630 5921833 12139710 7122816 9201426 6113254 2769219 6844364 5668987 12515154 3913469 11751603 8107321 10596460 3408419 9345485 5547528 4522672 11378270 4623543 3545275 6204185 5498126 2680587 4415901 10481733 8054116 5665225 11946248 5517652 6105443 5518947 5103194 61880680 6718315 12886972 4904627 5304886 10192054 7327435 4423993 10065489 10772862 dimethyl sulfone 347219 150943 302244 310485 499988 683329 345694 382956 271649 889586 501800 269041 234991 372473 1690506 520659 1382932 616555 555026 948743 444830 883832 315721 424119 1739289 865640 624622 1007640 489976 559789 475489 498290 348775 428230 454209 595796 718529 426877 526938 231556 340750 531408 466310 735291 420416 2458646 611338 570111 532717 256980 713259 893113 767866 490152 487923 289130 353710 422468 302789 464895 291739 433491 749969 1854876 503117 621600 1070559 866235 951224 1916544 766749 883854 412139 1558553 447750 1783570 354502 1964976 611869 810868 1430793 811148 812305 668021 288119 477011 436856 1239042 1197413 288909 714710 440167 555604 305899 1752376 354590 797212 2798072 795844 1581843 615233 1742343 153718 3975582 1307471 ectoine 284887 3384418 223533 94578 63494 73094 78690 221563 120781 188884 149152 280985 271001 158120 173858 127554 86302 202864 214446 149709 149127 384288 233560 77774 184628 133976 57355 150204 94173 211669 228089 138955 219016 281710 180261 109086 174745 126250 201088 193163 158088 148437 396572 231064 390300 158923 207264 65580 163842 thioproline 5918063 9515846 9918127 8167063 10309048 8780817 8864369 7527763 11822648 11453493 8711631 9074928 7589109 10214089 10780668 13081217 15000218 11296162 11381063 8470875 10086910 10481124 6784320 8564641 8850450 9495806 7961122 10275113 10385632 8581928 9066698 10174992 9493821 9199393 10571729 13293766 11212700 13423455 10230954 9715759 9985926 9540918 11324210 10508253 12021392 9272123 9788053 9121754 9967368 7463761 10355883 8474100 8816278 7503675 12007563 13348118 9586626 13692110 9404028 8028150 12428161 12264331 9323229 8667199 9650423 8825799 11130390 11047890 13679315 12033993 12607076 10557071 8983084 11934303 11907734 9702225 9756791 13940541 8202342 8480422 9208821 8166112 12634690 11680483 10029877 9615580 11491377 9043132 14124550 9075718 8965563 8410904 9815593 7341850 6855257 10276461 10354349 9286832 8116335 8751763 10131311 10222153 9147700 8767234 7508361 6834792 3-(cystein-S-yl)acetaminophen* 1389033 7126444 5128208 14666726 597103 11908351 5609758 1321153 sulfamethoxazole 48679340 1220688 3105733632 28847368 9015397 S-carboxymethyl-L-cysteine 239129 185572 290305 132321 282576 264961 220014 200109 259053 291379 196470 124586 119917 194664 212132 259860 282129 212198 179054 194850 173029 172565 66765 101942 94016 127198 128903 189373 181508 149302 172645 209284 143353 266898 232544 270743 221176 158829 185440 129462 202165 189836 107292 133827 141175 137560 196313 211067 155848 115472 254933 146054 80832 242097 125868 231160 308654 172575 189619 196459 254139 285188 81115 186005 146708 153964 96771 158871 214697 272770 136653 124399 98590 208095 171188 298721 151981 114150 95477 203652 143726 102014 96660 78340 295328 98269 80030 102702 118628 254119 78278 169337 135094 96059 176037 195297 89550 208720 130692 120254 227961 96804 2-piperidinone 182436608 147508688 106129600 59383668 18733020 115936096 19727566 432129344 66193292 223035696 69646792 72413680 28229542 30039952 50535040 7947171 19574418 104298144 16600992 100067520 17748330 9489852 336592960 34430872 22828328 315653152 17729320 76803568 12272835 34529684 102364000 9472703 125755760 132392376 9664316 19645970 26322888 18370040 140456480 104390712 56627468 37196732 19500902 80177064 11123982 24134792 22606652 50602336 77049112 15361960 430041408 15586497 35551740 21663468 37854792 34748780 89934464 164475072 65272256 108060344 565209344 29660328 53275628 103462584 14394751 104912280 41710148 18368586 15252041 22134292 20734568 22882246 74586744 33213378 45359992 66687596 9016823 75006328 29365890 8515487 33261144 27242762 47685436 18860082 8159502 35253724 279940928 9654050 8847294 21042416 17452934 17758384 46049732 29015366 21552328 10422783 27842172 12486277 10765971 16995854 96379768 78968496 9060975 696531456 7473343 26429640 3-formylindole 1907702 2062783 3523010 3642152 2763883 7897699 2456721 1450631 2298068 3696207 4090129 2690595 1210501 4906793 4401547 2441693 3042692 3256264 1758097 2652434 2048871 1639999 2637304 2186630 1561798 4206397 1718823 2358413 3862555 3455473 3424924 3833327 2039523 3996169 2732327 1954964 2286865 3834817 3891576 2405999 1645767 2186547 2925390 2441430 2390234 3463839 5527276 2737512 2927194 2266986 2970956 2130187 2808795 3354649 3608371 3563833 4799890 3559419 5592556 1775074 2055381 2795610 3813683 2576161 2769150 2849601 4676970 4109502 2735745 2653776 2644529 3169091 1790934 1265936 2213903 3169249 2915272 2052554 2843885 2707560 2799155 3465124 2487649 2130048 3313679 2157590 4112966 2576111 3507603 2077856 3309683 4293108 2436093 2377080 1653290 3728325 1749841 2130537 2034787 4025697 2132904 3305327 1663493 1930744 2677503 2919354 ergothioneine 4806041 14454242 7069627 6116658 8266182 9038073 10380151 5872272 11304317 10189450 5925432 8875073 9768262 4826690 9433638 5355869 8674374 10063942 8113748 5386962 10110726 12674460 19738472 16474797 19732170 8922441 11241127 25086372 19436000 10469725 25278614 36460208 15334598 12397890 15198751 11161226 15104502 14323327 12573057 16228553 7669353 6699368 7580014 6536089 4157008 6080878 22566990 5457173 9347303 6613488 9384294 9723177 5007448 3673798 13780490 9113722 9267919 9794513 8625195 8399855 9285064 9717236 10670978 7092068 8785214 9532223 5814478 8826138 5442568 7468679 9958753 7345580 9561175 23325140 12268244 17742938 28509792 49647396 8682841 18233474 26102446 11097870 7487317 29345008 49454284 18805298 12115169 10573568 16686493 12696084 10701450 12278928 18547240 7285234 7069261 7959219 7111858 5681460 5779258 23683976 8426234 10346836 9695998 17504144 10843049 6936413 histidine betaine (hercynine)* 1215027 1255312 721322 419241 1039919 671131 479158 1004825 726733 1121611 1515926 1843952 1068754 546853 446387 241108 737182 548377 364201 413714 429160 1182577 2146980 974149 1586863 384332 877469 1161665 677403 868658 2103366 1627412 614805 926078 841130 1581087 918426 840707 374048 959638 913299 600249 918390 513228 589241 796713 902468 650358 1414498 743230 2472323 1467310 376421 342891 2216731 2150659 366376 673879 1084279 295741 588607 727109 345196 1247437 884511 369720 672457 672702 144023 633019 1637158 1286759 752722 832815 1094367 1377070 2263416 6479479 816050 1054177 2069148 633229 547864 2192056 2715979 714611 1104916 951496 2019864 1796033 1432391 927949 1596307 1426696 535656 854599 732197 939864 687963 923151 922951 705486 646211 1930579 1148782 343499 homostachydrine* 507956 356791 417418 98132 299201 330018 379179 545999 207787 395773 889584 732053 524383 313904 837032 100046 327434 152479 442417 690722 921125 825120 537560 468936 1127086 537072 521637 943579 617228 1018192 709131 702964 981668 619993 507753 1137621 301859 825391 524348 691308 469609 2319789 1122706 275332 785811 369219 1691748 3036151 1012697 756142 1163846 530603 724678 309035 418993 442290 374096 414014 1129703 290692 577229 1011685 1358544 438356 248884 999425 281296 276176 323113 1000178 238857 470091 2178511 763683 632697 1600466 312016 1204376 1084881 629057 944970 929322 655028 1677678 529949 467893 1395453 341719 557639 2469166 949113 1144550 1540425 931039 694593 888476 453837 415205 467048 2956893 903493 1335576 indolin-2-one 85855 1456360 1146534 576138 371186 495566 537265 1943328 586084 931045 1699662 572893 578576 957638 983684 1949300 880931 681011 576022 547363 492031 542603 433736 301847 515257 299903 460468 728741 648983 586070 750642 428470 297713 1171330 227409 751092 1155643 869165 1166850 669646 401790 370145 443635 398503 589133 842464 523399 320095 544617 690346 684893 401056 1573376 966981 1455176 888666 443234 472653 700746 1064552 1478865 1175923 416536 532881 1097330 951431 498012 668744 745865 1399258 230911 688440 660541 262404 131641 805838 253558 542071 1056834 1650551 653716 318916 441204 180761 1296221 571187 179279 274290 723510 1096036 273531 249820 351303 311499 272769 342296 421868 347947 162171 1342013 1057299 803374 366296 1464702 methyl indole-3-acetate 338963 205327 660857 607413 433865 862749 458665 232353 159497 597648 1060073 422527 305336 279152 350004 568123 643402 433095 277038 729372 477495 260963 215403 479222 305611 777799 745327 517942 688559 318988 272624 533539 1115393 102090 609329 516995 218574 842949 769727 847125 164570 393234 716859 1031969 386630 310912 684800 219826 684150 616094 452819 84818 477092 380962 738891 342409 469387 703770 305797 273920 149958 144638 290919 313758 198121 439176 669490 220177 218962 107859 230372 378933 135348 1257120 506413 1123652 1521829 179291 426673 594305 538730 445200 430081 336927 859320 372540 253562 S-allylcysteine 1881916 344733 955173 602219 599251 2111121 75541 1014667 2059669 3076479 1273411 1840348 1981257 660553 156738 484704 370936 13239781 131194 33729 49824 467389 1667089 1913776 2185024 1178069 1207056 3884154 204266 422276 600382 612223 181245 1893868 460745 9054156 10992954 9294207 6722947 18909216 26832240 132920 46041 719329 51030 3455693 11150601 15767139 15085593 1463626 66146 4363073 stachydrine 4370931 16125657 37468120 17822390 6464976 20168884 29824462 87130144 29406844 48035044 30307812 83100512 48253796 32786042 20010070 41615424 9602967 8957707 47548632 21734036 8399700 34160844 14093932 32067174 41243336 25417864 17839762 28328960 12790404 18647182 30028418 115974360 106773824 16961750 70360864 44213700 32633052 73265040 14279359 50925844 41588208 72701704 12158397 65057400 78572016 20278670 36694672 4017510 31280488 25429580 64086456 61390456 62691448 6546025 15429856 49540948 18606662 12165693 7919590 9104913 47122536 16859190 24282136 35262460 19628256 25769544 32868662 28792512 142327824 6035671 53132516 17168060 60555364 171547712 36733088 25193702 84144280 39945628 11852483 20691266 5521504 77682032 20516030 25733758 45701040 78257472 16705687 84391304 36049172 173436176 61655092 38622712 145272672 38907992 31710164 134181544 349899616 60005684 28292888 57331056 56072336 28889864 55530696 32115968 47170088 67847264 theanine 1161936 58308 25213 55288 60136 72236 140234 caffeine 32010834 7520619 53203916 51168184 53325568 paraxanthine 3578988 1686478 2793885 theobromine 413892 10068811 290497 275783 199683 314192 132822 893676 619218 686326 99456 161978 2206268 88107 113847 3646369 6691654 199864 118017 36479 158573 910558 47167 6675485 29479 137977 36143 2075660 3647912 174036 1275956 402644 theophylline 353315 4634751 140883 652456 235140 1115520 187995 2074324 184965 1110627 230770 110136 bilirubin (E,E)* 31427622 9855856 15681144 27324072 7795277 27480546 12831263 5069331 6106686 13048999 10453750 12106951 18741532 12499992 13510917 5578899 7001020 27407242 13508046 16908220 20742648 11860263 8822739 24157302 20768368 11215459 2998208 12610369 10051412 17331872 6967284 8624245 12271185 10656954 21661548 15560988 39244372 27475226 27121444 18213056 17878226 20339792 8063932 10760176 21742306 18017030 12917303 10206145 12635483 65108776 2651762 15437206 12304698 41660980 22936648 14438815 38371132 10096460 25821918 21876252 4525196 31243234 7953899 25369276 11687579 13047336 15980731 11160445 6600162 8434464 13354709 8474607 5120292 4852100 11128179 7844726 10053014 15771792 11303211 3841187 19441484 3437750 19613532 7960112 8399018 9118844 10299565 24188972 5809946 25070252 32175838 21308482 11346464 13753212 25134210 3944482 15183790 7719372 8040702 23905418 18750080 9600671 32524456 6298670 8544635 8989196 bilirubin (Z,Z) 174710160 76987816 93675088 155040496 58287992 124414544 66755724 42343944 44427988 64155136 54424856 59040180 83262376 75484840 87481608 27880334 41448472 136019696 69830800 83598128 98099488 52329712 52122348 74136288 64231440 57911652 21471918 64358624 59763620 68527456 44607912 39241836 60520576 47452036 99969176 85838864 148666592 100047880 99954280 63984980 69440672 70695096 31900612 69350248 100826024 77731032 69137928 36770580 61412168 156355024 13956442 88408224 47572904 275561408 160275280 75162496 157261808 68400824 126798096 143477248 28129796 134473776 69784424 77081016 48790556 83039960 118377344 93793120 45279156 65769884 105487504 67328776 54252536 41567216 60268692 43857040 44785744 61823040 97619984 30094602 82232360 32018434 77699472 34753220 70293800 50634248 45644972 117560584 35363904 126924472 165768608 120978616 48639260 89019168 86606168 20279392 116290000 74701600 49214164 113057816 70335808 55573652 139294640 31687894 42783928 36482056 biliverdin 6020908 2756469 4149306 5633722 1411291 7332160 1578635 1558846 1597732 1573662 2116488 1676257 2858634 3311938 1687397 829380 2036977 6771722 1747223 2530745 5151801 3118247 4560568 3792165 2886839 1319734 638976 2693230 1370950 3298204 1276022 1880738 1378303 1983439 3600359 3349981 10489203 4526552 5669892 3223829 2798140 2961321 1986600 2551116 5438764 5936993 2815770 1733135 1731636 10156115 656715 3611400 1930031 12581177 8455877 4522262 13494140 2912760 10504093 6794253 1453351 13913694 1651974 14030430 1944171 1956707 5850138 3791543 1086214 3126342 7507374 1897318 6285564 12394762 4755432 2326916 2072986 5494406 4000710 1358930 6639715 1561832 6012578 1585800 2619247 1808749 3420213 6195071 1531321 7846109 11718511 6017758 1975733 2545606 3794767 561554 3852448 6255707 854022 3195215 7043102 2470318 5846683 1798079 1231056 1238799 heme 6248049 15873389 2294776 2874036 2290505 2319911 5489717 2876936 5317464 2820644 1743109 2645250 1848289 3277909 4869514 2009278 3113506 1420899 1156014 3445315 3410482 2046293 43397788 3103065 3670022 2188082 3511383 3065929 2472260 4763476 4109068 4467136 1235564 2074321 4674716 3816471 4480231 5409273 3667406 8765416 3296175 5014402 4515445 2827788 1433619 3135728 2063757 451921 1855813 1255651 1536626 2264808 2259973 1732530 7219221 6151426 4432965 7254611 5721481 3639673 5899402 3148225 6246207 2959186 5692177 2184780 2261224 4063698 4375597 6807686 6398289 3128131 16868490 36214420 3878053 17921004 6661037 16663273 1720771 5707020 1635706 5997448 3316620 1998680 5355055 4910283 2533734 2713846 2231573 2966186 5857643 3246389 443041 1442567 3798596 2200488 1864431 11320343 328074 2138072 2469924 3425706 615067 5040631 1839230 1926242 L-urobilin 634451 119489 1082949 115672 41967 44710 1096965 1014609 218035 280804 287857 47503 1895223 183218 519549 284300 598065 10039358 2813980 431191 51935 456946 605707 1000018 1866607 199852 363927 829081 360713 932766 941667 1163276 512829 1192162 2273461 1592254 828263 497043 2371829 708777 745339 418909 555888 320892 406026 2090741 108878 1949686 371033 404008 447302 3315432 439825 274573 alpha-tocopherol 771312768 926670912 711889088 569105664 836878976 944692288 563836416 853535040 588121216 762138880 1018649792 943721856 808968512 736524480 890297088 702044416 659151168 872473152 519715360 832817664 662025344 687084736 695995968 646548928 718812864 609179008 377026240 660109248 703627584 665059648 685695040 546289344 502958144 842980096 657819712 744830080 450846976 574326528 578814720 510932064 527202240 586455744 801630208 892165376 542986624 817014080 702695936 782337984 788731584 755821824 752200128 661015552 716392320 752847296 783546240 636418112 591022656 705577280 893370880 614585024 729686336 780426688 815362880 616141760 816490432 601640128 645922304 941290880 687886144 530983232 751562240 522378880 778275712 331765120 683722752 642554816 595045888 543182528 409461120 495115840 588230656 577651136 729482112 543342784 552766592 566990208 752969984 652426176 569869568 472643840 467452032 502387424 466643936 544096576 618142400 672706240 675657152 659012544 641695744 476006336 632108864 641571328 557235840 694773760 945006848 609127680 gamma-tocopherol/beta-tocopherol 36279060 28242678 30480822 31657830 32479662 54635140 21157432 106570072 60496364 27345774 43265856 65141236 51508576 33204030 39746384 43259932 55756520 46653580 29181686 54253644 29129616 53006220 41727700 43046924 64002976 52608544 18317778 55722084 60191572 28553052 95166520 64743104 44788868 32465252 82467616 37748104 44447272 43444096 58040076 29648074 47286188 97919464 42435236 51042408 35330612 102184336 66112028 50122012 63306744 38577160 44730684 85291160 76855216 36625912 49169644 52845144 63603908 46975812 46920224 36937436 146330112 59810272 38470256 60968352 52470140 37476340 50388292 106010656 33490312 31699582 76490648 49027856 153292048 23238928 67875512 68941048 47475344 26643622 42721140 89035240 42676952 100030984 35058316 58150392 70808160 60377340 52561092 83697920 98737888 73060992 49090076 43507416 55954944 88403888 89679984 64457624 48858280 54355208 141240016 69419840 96488648 37508804 67167488 34800836 81798736 65324064 beta-cryptoxanthin 6251566 5152707 3454917 5190583 9515000 26902110 14652627 6503765 10049855 9155120 9675869 10439655 11890952 6956770 5826469 6194769 9645958 9101490 19540176 10417707 5411576 8426791 4917920 2984062 5952541 12794988 5838951 5406962 7025679 2133766 9594101 11695447 16212160 3591939 23385736 19919362 1868267 3117544 4983150 3098603 8359555 4408395 3798988 4130521 4500353 2608201 10023648 3839607 4887227 5755426 3484480 18722290 2814992 3226702 6024085 3007420 4871982 13754736 15393072 7103930 5345385 11796332 11760972 4187838 24363010 25505762 9332109 10559661 5641282 5510353 17819038 21269490 26746964 18817426 17516944 12221640 25536274 4552565 8832855 16962866 4240806 6776943 2815684 16405935 20312782 11133439 6922316 21232474 25501322 7974800 3589759 13614977 15077633 27931814 13633072 14093633 3205788 14802005 12207277 12877270 18311554 12301786 46659948 4023661 30001412 10770601 carotene diol (2) 10766629 10076468 7345544 12134573 19814918 17815534 12507868 12067818 4611990 10712681 18177432 17694146 14933520 8212255 11956702 10081262 15020706 14376315 11888605 9743444 11319630 11550927 12596137 6233562 10017676 10560955 11099079 8129096 12040500 5636812 16860110 10986939 17702148 9416721 16649070 12124838 7750388 14894630 8837096 8544963 9745079 14746304 12091769 10387679 7583153 17788654 6486877 9931096 10658107 11314289 9138862 16539097 17803470 10452416 11709929 4719690 9861997 15960592 10818538 4677237 7292298 6889495 12421594 9346056 12155834 13679838 8644708 7442979 7492421 10691215 7716009 9109166 10399252 15729677 11729665 14881657 10152722 12475958 7523489 10155869 7708736 8096829 7553763 13770915 10963353 13192638 8931355 14535684 10298292 6536521 12300871 7170803 13308609 9293101 10564686 10067200 4717233 9078747 10298338 4706846 5975381 7165920 20207894 6701776 18333464 10490290 carotene diol (3) 7499508 4003996 3144847 12349657 9570326 16657068 13598597 8186532 4568229 6848092 8531592 9259815 8219396 4814431 6622429 6177398 12724605 10343309 12125642 8173460 5101142 11655158 5403048 1998451 4826763 11153165 6837383 4481133 8989688 2648911 12310640 9539383 16163366 3628108 18927742 9861037 4568963 8164736 4804401 3858198 6673734 7954694 6544520 7644642 3519199 6990173 9864365 2667794 6259828 5145699 3301322 15823853 6541006 4273840 5050947 2754222 7878930 15339124 9731255 4813635 5338016 7193296 8716647 6109776 15077521 19516098 7602170 8725874 4620869 8187040 11123966 9096350 19217338 12058934 12699686 10220989 13456238 5102156 8878196 16829638 3811667 7572071 3335913 10202307 12123330 11111328 4516965 18342180 15990487 9517520 7666339 9072961 13181939 22095582 11467101 12923577 3577843 8169510 9470506 7080323 13248194 6123096 28735138 3854914 22896436 7405838 retinol (Vitamin A) 19994646 12364187 21244368 10306371 12796762 11586499 14196439 13595986 8852529 21437074 23625528 14877007 10612783 13479531 21360628 20966036 13729507 23929592 12778557 23705132 18067150 9469019 13118998 10579594 15966603 14341912 13092838 11834912 18944252 14664368 14262049 8070724 14012217 14680596 16413714 13457409 10411714 13762842 18732182 15886414 13256626 12592511 14257028 17444908 9164914 14875349 24582294 9477327 29513070 10976510 8477205 14513695 9742024 9620681 11664410 11174119 9181783 8172955 8194735 9754165 11401700 7879659 15403383 11820803 11140982 10981450 13783089 12701671 16297532 10918674 14300112 12681523 15481777 13179892 11446875 11504064 18623312 10873649 9987437 6688054 9709366 13444962 11802155 9390375 7548508 11757939 9291222 11563139 15060310 7863613 10582016 14699329 13237389 12066868 9226955 17507490 10375653 14678085 12770213 12829207 7867440 22202172 12925652 8868331 22671314 12634893 octadecanedioylcarnitine (C18-DC)* 884940 580296 1880309 1670110 1137702 844319 1647795 2887861 3533845 2734963 1521786 808642 845017 971495 3944640 900050 1473055 1535021 2948763 2069047 4035088 3543075 1449378 2706170 2524355 1598973 3237199 914261 4650822 2214036 7334251 1295468 836754 1156756 1701408 546117 1241163 797387 1426193 1567402 875438 octadecenedioylcarnitine (C18:1-DC)* 784463 1397299 509956 2096998 4180680 2223636 369436 978145 3562185 1679851 3478062 1756636 574662 861368 1879794 1410365 2680696 3779630 3433408 1541479 1007213 693813 999444 1622764 974605 926306 1933812 778680 1703931 2062281 1487343 3102219 1498287 1408165 1537094 2793477 5540230 867853 918145 5498067 1311861 1113514 7283239 1050147 1544211 8151471 2324865 5571935 568304 1694450 2306998 1850521 1628976 1341960 951582 452423 984748 870928 1643425 895382 2494901 3827973 1418078 445723 971330 2153652 988077 1320884 2345472 876074 2714408 839529 420167 862668 1262371 1453126 arachidoylcarnitine (C20)* 449452 357832 359396 266316 485895 888150 664261 364888 933606 903940 1040134 715934 506980 543155 643863 469324 467257 374284 324824 653684 513145 477186 372562 519206 497624 347017 473338 611667 618763 437535 463779 733027 323463 573890 540211 326647 469338 190226 348443 772851 1238178 572304 707442 1162766 1051385 366856 489057 216418 733367 335638 499381 655058 414237 923515 1018219 557651 966400 456889 641560 495454 498185 401103 785709 278736 360695 208342 844212 639116 573581 819192 567723 298077 626115 496826 720966 281170 547758 323783 297334 485425 250657 571670 376870 450584 779665 485234 407949 431380 462327 540886 829871 920536 321492 442829 418315 426469 behenoylcarnitine (C22)* 427235 129471 162138 151198 198494 722630 268853 133585 1021486 626675 1780286 810298 585905 451746 879842 558370 162422 300673 299559 268434 297005 302093 373933 142017 207494 208778 492009 115422 283607 57629 287601 248050 120349 211999 292889 661803 2179791 624320 580466 1048732 420025 308619 437741 133685 1030621 204247 182507 485623 274882 735997 916074 367100 241391 486264 368975 310233 219597 425140 414800 174730 317148 151346 411413 640122 681701 1118929 737054 481945 399825 708121 93939 373010 125900 235266 497334 128921 607993 116206 207019 230004 494047 94085 373065 239974 198848 327882 488319 437216 402032 517971 303428 cerotoylcarnitine (C26)* 3199413 2784807 1679620 2102693 1387236 10285491 2825879 3089637 3091455 3040602 3094706 2416598 2191096 1981076 2197491 2770729 1817666 2575944 1901968 5505968 3169130 1983381 3507960 3635219 4299849 4205623 1609961 2801465 2973139 3471581 2188767 4000668 3185582 6704563 1811369 2587910 1276001 4376802 3250044 1666843 2498398 1399723 3700691 2175507 4787937 1607147 2725836 3536274 4327810 2305450 3481006 1985282 2591977 3342146 3145205 2365482 3694140 1443124 10113757 8561007 3350077 1930210 4844822 3812605 3104610 2802311 3605101 2661152 3105091 1160273 2022525 2826449 5785008 5500869 2448284 3643927 2938489 2826045 5354096 1743672 2274021 1310877 4206605 1564109 2308577 4241039 4972251 1434501 2195456 770195 2710373 1900216 1369401 4619913 2768840 2716649 2625182 2562380 2185236 1532702 6087559 3842864 1539652 1817650 3335586 2499426 lignoceroylcarnitine (C24)* 4348893 1761670 1340457 1376784 1889347 6153361 3156800 2058322 7075004 4240445 4877132 4670492 2575966 2376702 2741767 2855821 3395224 2349209 1966431 3764799 1868139 2637215 2214960 3413467 3136523 2798904 1669151 2475003 3105275 3810513 1913041 2295720 1893217 4285237 1674500 3491755 908922 2814590 2070262 1381784 2428426 1451433 2300630 4779090 5889851 2249995 2934918 7397190 4685461 2207909 4412814 1979824 4852920 4660739 2490835 2005170 3334950 2165140 6018169 6711182 3204985 2713835 4502675 2329059 2531502 3568066 2342230 3109279 4348430 1384882 2075749 1766298 4846627 3920112 4254860 3844588 3798014 1679624 3213435 2741527 5118011 1311441 4158280 1572623 1852577 2473695 4149776 1318165 3549487 590221 1647710 1570204 1154603 3287089 1973584 2351352 2597628 2085872 2194813 1812394 5616309 2981873 2859354 3754843 2620558 2833891 myristoylcarnitine (C14) 1944101 1304917 3692354 1241858 3303437 8106946 2839973 3130181 2996476 3910566 4890992 2055438 4229005 2825304 2232020 3579075 2060003 2532489 1495403 3501355 7906354 1262593 1944150 3747123 2557073 3295964 884163 2595711 1232163 6277384 614727 1583424 857751 3766382 858628 2663002 1523369 3921035 1412049 2117599 2314504 1676350 3805238 1711216 3419016 9343835 2368449 1926026 3541589 6400618 2890843 9538211 2975899 2854450 2649593 5547360 3068784 9965770 4711148 3259629 2686121 6534845 5154125 2180638 3284805 2360632 2198374 6062985 2028683 1290168 2875635 3589852 5023333 1116559 1460086 1880751 2975119 3520554 1887858 4683076 1575433 5746022 784754 813567 1308770 2362964 2705393 999348 1124877 2639465 2249756 2577096 2881048 1073144 2482254 679229 2237759 1661966 1240940 2388006 5695490 779876 2852550 2055992 1688249 palmitoylcarnitine (C16) 24404254 26603506 30658756 16080943 30750134 49691752 28755060 33914284 23774692 33143132 27472494 26920106 34316840 26482374 29584712 29809506 15689998 21137060 15302219 29899870 41970060 22405492 35125132 34364968 31816480 29185952 17508262 20508040 29090504 38861456 14335498 20969556 12377731 33449016 12696339 28399858 16627288 34842236 25002466 27905624 18533532 22224890 25815888 18622576 32088282 34873852 32737716 26904334 35698040 26520678 25435876 10416490 33629416 18148616 27834578 28251360 36854532 25263708 46194540 36530760 22769704 22224654 42617028 36789356 27678840 21895574 27883806 17253308 36497208 16012267 11225277 19659504 39786680 44648068 18507842 31241642 24086302 32088380 32164430 18902990 29014478 18626770 40207484 14927467 11994985 20898958 25982742 22273612 21562254 15481935 23907886 28918316 23113384 36597228 16011996 19077894 15808040 27776812 15449930 21450900 26566496 35493300 9849134 21073196 33677240 22228114 stearoylcarnitine (C18) 10690607 5937791 8207388 5734462 9075652 17986166 9372423 9153282 8696841 13661590 10270780 6894879 7279764 8647620 6804975 11213314 5558213 6978726 4419724 9579163 9625579 7427536 10584596 7823962 7225285 6670005 3463679 7963178 7542070 8132914 6803327 7195290 3801653 8265319 4712394 12064403 4789830 10605042 8258873 7359676 6136370 4423549 7724891 10233610 10071670 9559882 7483281 14365874 13642977 7158364 4818331 3323887 9820200 9820491 6309139 8096486 12271932 7929760 21125036 15122067 10554360 6185620 15678738 9919412 7991198 9071018 9387876 7438969 19809712 4970843 4319566 6772380 20543356 11857843 7007040 10061842 7926334 6766681 10260084 7086112 10171344 6671946 10013450 5127321 5594607 4256647 6629966 4979014 8060956 3770965 6434008 7839723 7812159 9951590 3649111 7448928 4944722 7321905 6621759 6398394 24165292 15634231 4394966 4133104 7430836 7118460 decanoylcarnitine (C10) 6452101 7565566 15715625 2711573 18082796 24188538 9415154 8876435 34832596 17870532 31577192 11639770 24533256 10899983 7279446 25748958 11550058 14277044 13803251 17038216 34863608 5686961 5280215 25531346 21434498 4239513 5041134 9104848 5650247 56854004 2053195 12256661 3586871 27223024 3351241 17155612 8345007 12775960 3206448 5367315 20166998 2563117 17317052 4725826 17966488 27412524 14208210 8171548 8080253 30141938 28378336 3081257 21713592 23451182 32096136 5782379 14247254 8413521 17547684 22847454 8859140 23155052 30466768 24041680 15423083 12252963 7577681 11789839 12147511 4247794 4602134 3002196 9723311 28148088 4211438 3951086 12247904 20448446 8891769 13001435 17447484 5405965 68086144 4495656 4721583 7199300 17110550 18027530 4682788 6482694 12091308 14758893 6436897 12050556 3631601 5838581 1706218 11621046 2271280 6105373 7861441 23040648 3396146 45498660 7793094 9728017 laurylcarnitine (C12) 1423801 1469571 5851088 6197298 5120446 2565425 1578516 4830341 5266527 9424459 1521234 5063442 2008632 1826195 3356041 3003590 4076336 2434449 3546683 13071798 1186394 1185431 7098363 2373553 1294024 1448136 1812632 950585 9169021 258980 2448945 238931 5618353 3893535 1344583 3057612 648098 3705173 319670 3962240 1028813 5290722 10406403 2385288 1611743 1876785 9618866 4537795 386225 14085663 4307750 6175190 1569672 4051782 2367606 4734878 5615066 1600224 1884583 8067640 4889120 1718796 2368803 2479182 1886127 482551 523054 2139676 6730585 673644 786341 2577535 4371230 1926825 3737838 5311012 1217398 9586889 563187 865787 942948 3468939 4361132 1185157 689645 2187954 3224896 1494517 3158929 785215 986377 309360 3038029 623621 1108259 1400768 5278176 606158 6494206 2216701 2434525 nonanoylcarnitine (C9) 298429 238974 141603 359061 228331 230281 346710 611006 645275 394400 362209 377864 386845 447305 241057 547518 712161 167062 183742 375795 310098 130524 250235 156207 459775 139652 214691 96026 238627 243850 450964 137249 317193 233473 365922 648012 487484 267330 356102 604234 764624 418525 250800 510571 454641 375651 1012929 687013 309970 568790 415986 404647 246832 121005 367053 625863 198873 181217 297050 296177 245909 205368 450237 287069 724052 93224 117882 391056 334769 170833 340659 991128 361033 431165 224180 277961 336102 118355 326620 148079 177104 854796 92199 376630 132797 308237 octanoylcarnitine (C8) 4473347 4836359 8664702 1700580 9420323 14716048 5503625 5488971 19102652 10353025 18777936 7751333 11221767 7666986 5596686 13695034 8284548 8695854 9152686 11752289 22074616 3511985 4151449 15294976 12824571 3342400 3255980 6095697 4118753 32486018 1748355 7866386 2263812 14943587 2870662 11815280 6034261 7872863 2651019 3703274 13283084 1842243 9596345 3204678 10870650 15633106 9536109 6238280 5753723 20241970 15008990 2640481 13513217 14168657 16691310 3394998 8749136 4828543 10806558 13673063 4897259 13098424 17811642 15189175 10688263 7992577 5533548 8130895 7247550 3247520 3370796 2288034 7241319 18169004 3382964 2891937 7529255 10132432 5671760 7840764 10860693 4211487 37963992 3184181 3865442 4655347 10368914 10742425 3370661 4434918 8183109 9646498 4279291 7400805 3396998 3898345 1310399 7999054 1966887 5173761 5671340 12953387 2990784 24935952 5412210 6580588 5-dodecenoylcarnitine (C12:1) 2214691 6875830 1459238 10271991 11598410 4358051 5538854 7218352 8401494 15983218 6143922 20177310 5597891 4020143 9091343 5094938 6606359 4567117 7156343 34874100 2800645 2018138 15735368 7452234 1366561 1861166 4222573 1721709 15524555 1583333 6132867 2080765 10846420 1704582 7617906 3523868 5819703 2016707 3062226 9925511 1293928 11241313 1164457 9593810 34909020 4788102 3833126 2664760 26027310 4901198 1277435 39643996 10316343 7810560 2999001 9899957 4466794 13041170 9870332 4619389 6500359 12574001 18024180 7067236 8332717 3603606 4788572 4442196 1953466 2079274 1445086 3516904 20118962 1633995 1837974 4321931 11794712 4722437 5979282 10242325 2410667 21585604 2948125 2500132 2512631 7500216 10544420 2018252 2200975 5641987 8423017 2628817 3963292 1781159 3000020 303461 7283516 1608108 2213297 3970065 10002210 1396931 11114223 1673697 5863788 cis-4-decenoylcarnitine (C10:1) 2924048 3017425 5449592 1737593 6852841 8338527 4170612 4341382 15956039 6811511 14427335 7905298 13226436 7040228 4249703 7909780 6099957 6531850 7427182 7780824 16542591 4009936 2897247 13621997 10040838 2518776 2898530 6234905 3866727 31648226 2326958 7838460 3795148 20257492 4079604 17446702 6410139 6918089 3543539 4097325 19501890 2931616 10648254 2543056 9421058 18946908 6915062 4693545 3460287 17848422 12602602 5080849 20555790 9115560 9775302 2649620 9056291 4664855 6502169 9210772 4665113 12963406 10163856 12375038 9473090 6943987 8868398 7181774 3634986 2500408 3441009 1503908 6332796 14885258 3372275 2637909 7870788 11154150 5312739 6855867 9278977 3814254 34260972 3647875 4059734 3467594 13847704 15737984 4042880 7050046 6679941 11108947 3577899 5702260 3136928 3344358 1624214 7059603 3461874 4268362 4971996 7837246 3315829 21410958 5293299 6314706 myristoleoylcarnitine (C14:1)* 3069193 2734566 9205577 1726588 11463207 12921819 4509151 4299044 10656212 8163247 18756894 5290686 18369650 7516207 4087718 8449004 4783344 7363412 3377614 7368657 38009476 2947994 2395167 18923470 8776169 2279759 2427725 4015108 1871478 21300640 1922235 7571125 2245791 10732662 1542254 9236346 3593994 5400163 3024185 2614644 9426174 1883802 12889014 1800058 18013602 54168932 4553744 4491178 2697954 28890996 7687520 1178777 65418688 6334111 10862291 4705761 15866507 6249385 16602431 14493235 3835632 8265997 14355315 16872210 5942602 8066090 3946239 4109843 3906256 2784504 2149610 1460007 5123779 20853492 2223126 2643348 6156494 10854301 6411469 8883846 16062767 3456396 25566324 2773735 2080372 3131065 7685936 10425153 2615219 2734620 2699694 8139508 2286002 7961877 1182657 2289986 509392 9254675 2014380 2643343 3758941 6265456 1062803 15532115 3660949 6001412 nervonoylcarnitine (C24:1)* 295897 305990 431207 254766 329555 424979 402296 287180 426461 232089 284088 380670 140580 289203 485165 309047 208102 556808 270211 371212 381723 659585 839379 425323 414242 78128 260359 256533 506053 162166 359212 241003 645875 758207 385965 257123 343262 331338 71994 157299 234617 265049 453646 132327 oleoylcarnitine (C18:1) 21383026 19362250 30365842 17539676 24559962 55102872 30514700 36366120 26486660 28690494 29618892 26007486 34709908 32801590 23343706 31716208 17504142 23211368 15360351 29870878 42791052 22939450 33049284 43590664 41890040 28983286 16166662 19176430 26919238 34750572 21731726 31709760 13613485 32040426 15225360 45984312 18437076 34788084 21997410 28363480 27956298 18798632 37054924 22074622 42975176 46803072 29734954 33565140 28723332 30572104 20676528 12508459 50076728 20995958 20352628 27330498 42339528 19691720 60937140 53669392 27117146 25250628 36466092 53093708 34489668 29885004 33199000 22392762 34719676 17169648 15309156 20004180 45441660 52094260 28918776 37839004 29452540 38743448 38773120 18082578 31339790 18385886 44630252 22038840 21773372 20700782 28266038 28007008 29781916 15783070 31120918 29638488 21135818 41369180 19831714 18745158 21500338 31502906 18060522 22854700 50693476 35253300 11262532 25175148 27018598 25723426 palmitoleoylcarnitine (C16:1)* 1972002 1306128 3286166 1321133 3496280 5704881 2701305 4877462 1752157 3317172 4882080 2491175 8593874 4343690 3228390 3533653 1919390 2740145 1132772 3828019 12368137 1402033 2096450 5096031 4377766 2033066 1051261 2867067 1597605 5325059 965198 3646027 1427067 3902458 1483716 5005072 2524708 3654527 1528442 3142556 4251020 1653068 5348118 1958121 6347169 13886443 2277950 2484660 2250546 9067266 2059980 789284 16356913 2859155 2300635 2864412 7018097 2497498 10432963 7181485 3368507 3062842 5256098 9073602 3395501 4787664 3296030 2824811 3790070 2265847 1099024 1162631 2776004 9602413 1080008 1816267 2599348 5054107 4914700 3127232 5836044 1843905 7774636 1619521 2150317 1382432 2737164 3720728 1037635 1633636 2819993 3151194 2029521 3669197 1263234 1566364 1139161 4423037 1753447 1569907 3252381 4427192 990638 4049289 1376021 3142744 ximenoylcarnitine (C26:1)* 1030465 1304672 795782 890688 736901 2774045 1291030 1085009 1288216 1282861 974105 648325 1026891 957805 1218325 1013527 709020 950664 561195 2181640 1373723 1022224 1022658 1195383 1134382 2181390 776486 993445 1231256 1260049 845215 1058764 981558 1736726 541181 1323043 645635 1592395 1041765 802923 962407 541003 933825 777272 1897447 829015 1065464 1075908 2199535 475822 1064836 833918 1021879 1320683 1088514 926732 1513284 540454 2781371 1587859 1374048 785668 1540218 1417017 1389340 957104 1570667 934586 1025900 496665 812454 889689 2501782 920908 745803 742424 959188 1017489 2909794 840100 584125 671891 1089299 602002 769523 1530855 1556963 633715 893903 388803 929700 962699 516746 1429082 784242 684226 1202104 1068594 1003551 720670 1721693 1348526 633763 433238 1382338 932106 arachidonoylcarnitine (C20:4) 828812 789443 2191053 2257187 1149922 4882002 2184051 4100451 1086349 2697398 999657 1182678 1552925 3315137 3196281 2711242 1224575 936112 1591940 2150427 1555275 1538330 2046681 1602893 2764127 3576001 824510 2124053 2896421 1508499 848647 1292264 572872 1833240 1861745 1978146 1651206 2589916 955564 2158679 2970396 1391389 1854606 913953 1943761 1116647 2152377 2105637 2078657 697481 473917 812270 966284 635069 647493 2447439 3075478 1234436 3736999 3493384 2462884 1673571 2911536 3515009 2215765 1814073 3764037 2561314 3821966 1699580 1448856 2626877 3300972 3069408 1811607 1621712 1907142 2061301 2807484 570689 1947273 941747 2338040 829552 1691712 857137 1705208 2550759 1141605 1422903 3294103 1434738 2826531 4137946 1818857 1444536 1783177 2276148 1375499 2293603 3180700 3213366 728335 678101 1208373 826576 dihomo-linolenoylcarnitine (C20:3n3 or 6)* 1092831 911215 1810898 1791069 1361222 3717502 2064029 3582966 1030885 2921381 1000356 1451627 1033039 2444126 3181445 2525686 1095746 941577 1308630 1652104 2051438 1088564 1401283 1395232 2286135 2439426 699889 1512411 2650371 1308618 784006 1021382 700905 1681903 1547450 1441005 1323571 1925658 1038468 2116371 2152784 1374839 1558403 1128635 2042888 1218556 2117107 2067170 2452758 696723 360276 679522 871192 792382 373072 1661871 2414555 1035621 2687591 2707980 1504863 1376968 3091625 2701732 1722155 1680761 2119211 2012362 3019527 1317774 768093 1689628 3711289 2501070 1225931 1718259 1788663 1267255 2144618 302402 1464950 846835 2020564 691158 983608 481065 1308648 1721029 1011173 888879 1695653 846975 1656817 2553403 929147 1098292 1063856 2190894 805322 1794427 2850732 3152199 656341 606293 1014412 687766 dihomo-linoleoylcarnitine (C20:2)* 474997 271684 751180 818117 510882 1214793 740911 1494760 514087 640697 465106 650397 919599 1030382 960963 981736 383527 427240 475892 641689 825783 423856 605694 854538 1238797 881513 246999 545699 832801 560679 579954 611928 259208 510528 558550 945658 605917 1225239 617984 1045683 1158794 761276 613062 415368 801444 845385 688291 718432 662878 253050 149244 328446 607605 327266 595079 1416144 323377 1050606 1019289 756597 565771 825822 1302682 819018 847243 950564 768045 851969 404476 284858 416796 1495366 1096457 762913 840970 1184289 1001340 966583 295863 633270 417290 819628 623260 405642 298215 449042 713417 656989 474036 778297 611354 865392 1419127 603717 389662 450798 797812 421332 611539 1036134 843947 203954 333514 425997 517907 linoleoylcarnitine (C18:2)* 12048829 10077462 16784296 18638492 14411617 39700084 21502000 40697544 15293925 18445634 15221662 21029714 19317898 24484494 23522080 18412056 12979197 14240717 15808971 15722288 27915294 17028244 18253896 25811244 28962840 26772102 9296406 18349044 22800608 20064372 16010802 16983942 11433668 26365706 20007146 25788846 18247218 31004416 21873806 25871388 28154466 22087414 23037544 12580925 26880798 28277580 22968220 20619980 20519204 20225392 10733720 18504500 26262902 11344900 9781182 17231284 35970544 15252875 34921384 31218342 21756936 15323251 21654734 45705244 23992456 21562660 32353678 24038292 21181536 13963187 16238309 17678884 35477528 40948916 32306876 34891556 26479860 29745304 25185142 10223994 21547096 14136834 26735000 15291027 18186792 14377868 23552944 27448480 19162036 19666114 29733116 26606300 26197952 31206970 18790876 11724423 16172708 23735396 17954470 20900772 48361540 23661322 14194375 14012451 18623428 17856592 arachidonoylcholine 5328658 17968556 13813787 7128442 16391322 15860244 7051086 21984882 12639687 9748454 17832278 12787937 10729445 16541884 24099960 9709108 8732392 6762753 7015349 8848184 18199940 8889071 7746425 6241228 10294615 8920732 18644560 12745145 15843346 21852288 31878708 23967986 25677308 12064783 23904390 16149939 12567032 6561577 9223714 6858889 18472282 10943445 16293596 10195914 17342736 19962954 15461920 12406604 20788110 9336071 10974390 10721007 6704133 9608927 22221104 29958540 20780564 21644990 12451314 10691387 14981663 22369698 28835892 9257501 28289290 11626260 32992890 24608696 21124530 14057817 15264497 8335078 11571261 12578995 11170380 4223433 10436670 8151485 5645697 12063485 15021134 16434121 21288618 16389859 35208552 16146868 11170876 12106629 6430926 11290113 36869324 12741977 18249656 17084198 9903475 20808506 13384931 25422156 12972165 14088303 9987875 26009704 17133004 17738768 24113100 8860229 dihomo-linolenoyl-choline 2597848 7544192 6949463 2069541 6093319 7045681 2592618 7755015 3717041 4536256 7270923 4211961 3319866 6458757 11774387 5051791 2614871 2909883 2358351 4665503 8233934 2006940 2320455 1493222 3203101 1535661 4218297 2934160 5345253 7508582 7568144 4738322 9539530 3774807 8185261 4521344 4556328 1500171 3882913 2424482 3584918 3510912 5625442 3785839 7585106 8684384 6092254 3692151 12772925 3483964 2264130 2206164 1448375 3428081 5142371 7325276 5674854 6795724 3799089 2509668 4399653 6654161 13828346 1601208 6509596 4306484 8263008 11068732 9326145 5523344 2467084 2208945 4463293 2869763 1587865 1020279 3486547 1968999 1910739 1116781 3582130 6228707 9376050 2894372 8595426 3387552 3227118 2835447 1705465 3111118 7312404 2562650 5600083 3151790 1147703 8770021 3161775 9595123 3492194 2777735 2021403 14612256 4350958 5174284 8539790 2681482 docosahexaenoylcholine 663942 2081729 1602528 799927 2401334 3245694 1627593 2321356 1574086 1783363 1984121 1359464 1544646 2404309 3756855 1717171 1709304 1918802 655801 1842580 2779060 1053763 1032109 1146011 2457232 1085360 4405949 3592567 5210198 4806197 4697204 3998608 3364116 4998426 4665840 3209283 2226750 962921 708448 892303 3936614 1314408 2180447 3521780 3033176 1619186 3052352 1690123 3224328 1430091 5517390 1768719 808081 1221788 2322807 2917208 2940641 2971213 2999222 2249366 2068891 3507082 5512784 1325178 3994191 1380808 5089053 3277139 3782948 3298232 2117865 664262 2198109 1801160 888433 383940 1563373 2198651 770005 3415270 3677997 3366622 4166769 2045614 5674586 2803966 3527936 2183725 844086 1873828 5340293 1186541 2501796 3277638 1613031 3024832 2761943 4506923 1235849 2454283 1377072 6294926 2475484 8996919 5839819 1617955 linoleoylcholine* 13744433 38909148 24272726 13316311 21349422 42549644 15113206 42515148 29830032 22382608 27544866 27949398 17874916 24521486 69166200 18645242 15765392 13485837 15235084 17221278 26796554 12546440 10603116 8968292 22105262 15773983 38990096 15627479 30398694 46446928 65019968 38284480 39319852 20838082 37939988 18222420 19565110 9086218 18084786 9959242 20935292 25262226 21830264 21798586 47410700 43082952 25538730 18730438 64222016 14632279 18617600 16888734 10386080 27437492 36928512 44876460 29021534 31515972 24285524 14445586 28059700 34242388 59010320 11774732 43622704 18529790 53316856 77134712 42233548 22239572 25627498 17084476 29209678 17387658 17106806 8792933 14686987 10210543 11067283 21401856 14377194 34644836 46679340 24324376 67828056 31727906 24853120 13805317 10049413 22343008 53926920 14361499 33549356 31240038 24719710 35234548 23644506 47450608 23102950 16547259 17893718 56425444 33763212 31459012 48230440 15620087 oleoylcholine 7125813 19693964 17368906 9027187 12692927 16691341 6090340 22137112 11499778 10169475 14861746 12324533 8635975 16574150 30439902 12871485 6920450 5973663 6413526 11531424 13390838 6517161 7313279 4912447 9770000 6275626 17294286 8334018 15177227 22746134 32457966 19087142 19719758 12062748 15147197 10964243 8732305 4097756 9137458 4896642 11555807 11178953 11917048 10970848 19836586 28675258 13167796 9202212 30026080 5733575 9671114 7268112 5060631 13900110 15935177 26065512 15732087 14435095 10763189 8810969 14288518 16482121 26776558 5612361 22194198 9008708 24781658 31080124 23785670 13622419 11362799 7673978 11881825 7089619 6198170 3364959 7162586 5636819 7392359 11393349 8142687 17917688 27227476 12926764 33974640 13531689 11755944 6977932 4612323 8799226 25280412 7091948 12279941 15488023 13490370 19739404 12604656 22453724 12100325 6681694 7930407 32788618 10886256 18411530 28567482 7810905 palmitoylcholine 13932476 33942784 28472550 13378893 23563698 32334470 12356324 45278680 25938836 18371670 26093636 22803794 17760100 27291742 61978236 21020306 13231216 12562846 10958847 23293218 31257818 12652650 11444206 9763672 18789250 14259917 32168244 17732462 25941374 43014128 49871392 33289250 36763496 22277008 35689664 20155824 19008196 9059660 14515323 11052667 19697598 23719308 23225714 20761734 42532340 47432696 24104132 15828313 57680044 13210621 18621502 14555139 10415068 27447014 31245936 43363612 28593776 30764518 20223028 15926233 26567154 35178612 48820184 11038417 41398992 16257830 50448868 60268532 40943784 23969292 22960594 14720072 24411632 15525681 13144756 7876688 13487447 12363008 11212782 22855602 18368026 33259180 44966216 24705772 60677832 28276854 23149806 14828521 10803116 20492458 49497616 15667496 29500848 27804900 24918886 38077148 21653482 45127392 23136392 15931488 12829392 56797832 26213990 28326650 47049192 16056044 stearoylcholine* 7835399 16339866 14673693 8778574 14467697 16263712 6531494 17286328 10538408 10818315 14682152 12514263 9525554 13649830 32981224 9649059 7222068 6598333 7363239 9810644 18239442 7957356 6270394 5411346 10166352 7107102 16847776 8532365 13055519 19547006 27208546 19537154 22080482 11385848 22124776 10722668 11495257 5540171 8336393 4760607 9699533 8323116 13733828 12522754 19278484 18032618 14255127 11919226 31855470 6631204 11299584 7668315 4919336 12722197 12831675 21999926 16631961 17262742 9525115 8665685 13241151 17576664 25317096 5630233 21951548 10510515 26443996 31356060 22957698 11689433 9281447 7417781 11999055 8850963 7574777 3265427 8129439 6543807 5228501 10306174 9382741 17157834 22624918 11975870 37041356 15512629 10936226 7807014 5203077 11267685 24809288 7893139 17554470 15267246 8549486 18084298 12431388 24864486 12188533 9220847 9609896 34896700 15129610 17165148 22457636 7887456 2-aminooctanoate 70935 352348 117331 105769 136007 217742 241471 65159 316815 206875 1041598 513188 306872 133961 544972 155744 257369 166977 336222 227667 95938 132054 150717 208074 72881 79915 78110 147767 209407 85346 205597 179274 86258 118844 93226 149963 99340 121180 298991 69126 215163 175695 138193 435121 220159 60549 209661 215970 102815 194884 65168 575137 153551 378785 89704 195962 131136 270120 422669 150459 229936 182358 533274 215971 405707 292942 395746 277060 125091 214248 504810 472169 98366 258579 191101 246602 69939 223653 191154 248834 138932 112117 90582 236180 112643 93798 189219 150608 176290 129896 170778 455137 140566 117077 122826 162515 138577 206137 172839 204859 131567 208737 397099 glycodeoxycholate 12054798 10494797 2831966 6216056 6158356 4470653 4920607 6138689 2686399 19799812 16467164 13781083 10973637 8728153 6102404 3911966 6734023 2555177 11275699 1158241 412847 21919636 3961499 2346127 28700004 585495 9938846 1508180 4658239 5339213 10156099 2962712 4937626 4667966 587390 6836173 3879270 2190007 2840700 9782242 1752601 2876364 10345727 8907786 14572211 6076246 11684516 5323015 7994211 2597104 8779745 23652308 15017655 2367139 6134367 818280 432498 1953996 16412815 2831651 2901827 7070298 6770444 5918992 761419 8680683 26914694 5556932 9364206 6392391 927202 16276693 2464399 6656987 22499788 10082919 1211265 16155610 5944804 10803464 8394071 4822407 10821151 3282973 13896163 1767768 1409445 6093799 10401601 13305975 6014110 4353716 2580776 993338 17426226 9988939 6642487 3842528 3478818 4709239 15146159 14972453 sphingadienine 1202403 690106 755459 537940 235199 1665134 1360642 1012199 678962 982234 772595 764991 1036760 2711187 1041690 454285 957456 1418336 1549545 2320990 1802520 2060225 1111710 595074 427883 714638 869925 883426 568749 812154 341291 497870 485935 802903 355118 871973 1159838 610597 1652756 850918 603970 709963 701302 1151481 594191 383175 742110 875619 697671 874699 451689 326976 515497 2115159 1077048 1397783 990052 796016 528495 696887 989242 605354 662648 1015727 530481 489320 1360857 426722 317284 463322 791064 920447 479945 659417 786217 1061907 741809 941540 1127159 715526 275859 504124 1142518 1117683 1194617 1153014 2027554 927784 886813 940944 1022365 830638 775499 1062246 753983 687213 1040323 573789 819977 575013 606397 420985 703893 1394893 716157 355539 sphinganine 1516297 521496 1216463 613752 506228 1818220 974977 1148816 1186228 1981511 1173583 1229613 1097152 1159744 1788919 1073662 1093092 1221373 1100908 2882070 2606587 2382125 1640372 815996 733415 1380838 1385244 1370851 885930 614207 655574 693904 810991 1170374 568697 886043 1201649 1097736 1592251 716924 578979 951115 1405485 916860 783921 979809 669210 999058 1374990 892871 1090482 781013 1681732 3510686 1006075 1160527 855129 814501 788407 575862 1582566 2252100 1071116 1200154 810956 732367 1056527 3445829 865432 556515 844406 1339759 982980 1111330 1526220 2168344 632691 1543575 1829112 991415 606334 1289644 1132782 1029334 1354827 1648902 2781958 1484124 997078 1078395 2368034 905164 1053466 1360062 951167 1175927 752746 845665 1327544 623913 938792 647646 996823 1962393 1682418 1015179 sphinganine-1-phosphate 1179360 1145203 1636451 772257 672634 1269106 1101268 1025564 759901 2560487 1462241 1799247 1442745 1079577 2477047 825866 916168 1129755 1230667 1473809 531055 400707 1199661 1422158 1274634 1365425 497111 1368684 1407049 847857 1190133 637926 1793351 1584229 1088228 1427978 1123369 1166210 940963 661915 749463 1409525 1062558 1535019 521763 748104 972282 1734829 1391749 705973 1355512 1074558 1559221 1217151 1813614 1472982 639924 966958 963090 583766 958327 1638061 1603987 649793 1138138 1388635 1385837 2232710 1143913 1192572 1095444 1938099 1137143 973735 961806 2214893 849583 1400514 562724 707328 935700 704490 775848 786536 612015 887178 1102297 892004 1551505 1131492 1125685 1020468 1118367 829592 859585 1198115 754941 963040 743186 1297630 729617 858874 796373 861451 1001706 895175 sphingosine 5214982 1958011 3387337 2239864 1303626 5703258 3531799 4329062 4567201 5282006 4036211 4506074 3691764 5794610 5871507 2972276 4828385 4510769 4302782 10323686 9044377 10939010 5952138 2977617 2177258 3520728 5073576 4446872 3826204 2345442 1932536 2628535 2062429 4288426 1775944 2916075 5036853 3242986 6459027 2912615 2238433 4508181 4625885 4655668 2928335 2646441 3104176 3837203 4051225 3752419 4128295 2255837 4029574 9769534 3057738 3994512 4487194 4566411 2706563 2737166 7074175 4959545 3301390 4812315 2863356 2379975 4163386 4276849 2456889 2147770 3886586 3946551 3008540 3164548 4435825 4948958 2494973 3835853 6427630 3586166 1876700 4228675 4727178 4421655 5247682 5649427 9332157 5811734 3273705 4253595 7278605 3142133 3323148 4764725 3360436 3922142 3840921 3006420 5647376 2155503 2312466 2103237 2729485 7522389 6924192 2831428 sphingosine 1-phosphate 7492447 7466078 9191202 5987951 4943641 7080835 7091620 7281755 5653981 10127080 9437310 9889961 9228599 6699068 11542233 5557954 7734693 7685669 7166124 8647070 5032455 4746089 7087370 6864613 6008926 6489551 4829676 8271447 9203954 5972370 6376043 4984450 7817631 9454788 6817869 8260249 6903218 7302653 6264773 5832513 5396814 8975995 6561311 10081047 4804660 4757536 7407646 10716466 7539249 5511901 8695026 6673727 5964460 6302991 9223023 7949635 5828659 7011638 5801652 5092132 8153343 5807864 8188675 6686791 7261051 8211414 6688133 5900810 6775524 8667926 7392943 8551181 6533871 4680546 6028273 8240583 5891866 7677706 4686862 4986957 5746678 5169935 5591121 5995286 5264407 5931399 6397289 5792589 7648417 6456744 5635027 6039109 6046550 5236538 6211842 7334105 6701168 6800826 4917562 7247787 4083796 5451553 5880894 5338330 7526326 4653797 4-cholesten-3-one 1489941 1977550 2322162 958668 1655484 2528933 1129598 1826800 1697644 1402700 1237595 1802622 2207515 1679004 1750380 1235990 1287066 1580793 1240882 1148312 1376280 1229769 1833241 883155 963355 922240 992399 1397189 1347419 804723 1556209 1241914 1350542 1005656 1001519 1038632 972769 1277620 1560456 1401837 896794 948264 1237633 1163825 1172001 1335424 1092980 1302339 1492024 1269796 1128571 1000141 1218173 1115463 1428585 1695440 1142853 940231 1587597 1263960 1306525 1145218 1303437 1939773 1759943 1580827 1205100 1662408 781114 987700 1324739 1192842 1051354 993083 1228077 1766625 906889 907265 817792 1243444 1028381 1281733 1016829 1047416 1119440 1275054 1286263 700738 1002029 1049701 1390653 1135733 1163481 1434692 1485159 1313246 1338147 1139759 1928911 752698 874009 986601 939468 1025277 1397137 1077906 beta-sitosterol 2092690 929848 494175 794946 1315723 1543279 1082535 1064611 1482210 895093 1149362 1825584 1576194 566537 1096533 568667 545548 649693 878121 817770 1316677 632983 1246965 1099493 778274 1238762 889938 597607 966937 767539 675312 1355581 1055395 688509 195935 968043 1347562 800965 759172 928231 894089 1273163 1060924 985737 776861 1103664 583740 578247 1110109 723964 1383857 2553814 1052846 520346 1158349 1502434 1624481 1426247 958909 1871705 1398267 831519 751236 1503620 607079 1573622 1051745 519791 782450 1447344 1551880 1765618 1516716 1276316 1355324 946219 710777 1051841 1119291 694390 796095 930892 553074 1441387 521736 574500 491224 532222 686302 844608 2405529 470889 1043759 877458 1515438 316053 2026657 801849 1243622 372310 495149 892964 campesterol 1962333 1121364 534621 534110 1563067 1706195 769506 1047313 1386982 1237555 1173518 1105928 1346846 756410 1353300 817937 654701 810544 738897 616438 897050 1168252 483370 798843 1297588 997884 375446 1022338 1016095 924774 1074321 762478 759836 2143331 1083295 796072 183739 880047 549565 845612 605841 669515 962045 1168924 743466 1169825 695755 1611124 556679 621696 1335745 551557 629786 2290730 1175420 541547 1162396 1737050 1542945 1347611 973872 1642771 1402782 954942 815162 1437772 727150 1360285 968557 537958 742689 643055 1237530 731483 1463029 998284 1242009 1138114 693248 1070783 1322610 990466 817620 810409 863778 617703 1686304 611241 849181 847919 701924 616026 627812 1597725 766329 928402 963105 1223392 294356 1550151 448258 676692 724764 665836 942343 cholesterol 794062592 662219136 483942304 363811712 679548544 743147264 409367776 422054560 566951488 614921024 664288384 688039808 570076736 397392640 675189888 549113280 493710592 644539008 403069472 547684096 487050624 421036096 468449920 432504064 377386432 395908992 267491376 581318016 595451072 445208768 399329888 386014944 378343104 679772736 478020256 378322560 299561184 469566144 439911232 365911488 324011840 397676672 587700096 554699008 418829312 573330048 552136640 577781312 424514944 384558016 644680384 411129536 519831072 904394240 656872768 389871872 453614016 657677888 703904512 507863360 452949760 596826688 687983424 487146912 661772032 532803648 469241312 727913408 572305536 459246752 587787136 402446400 543515456 433581120 430968544 506394880 398336000 472003520 380004448 480643200 533788768 461734656 466752480 319091200 370448640 368920320 576719232 453710208 347853888 302832512 458521984 365163424 362122848 305978624 659092096 540108160 507522912 430882432 519238048 365491712 447723552 455042016 383843648 486466880 527135712 469365760 MS_METABOLITE_DATA_END #METABOLITES METABOLITES_START metabolite_name SUPER_PATHWAY SUB_PATHWAY COMP_ID PLATFORM CHEMICAL_ID retention index MASS CAS PUBCHEM CHEMSPIDER KEGG HMDB_ID alanine Amino Acid Alanine and Aspartate Metabolism 1126 LC/MS Pos Early 811 1700 90.05496 56-41-7 5950 5735 C00041 HMDB00161 asparagine Amino Acid Alanine and Aspartate Metabolism 512 LC/MS Pos Early 917 1225 133.06077 70-47-3 6267 6031 C00152 HMDB00168 aspartate Amino Acid Alanine and Aspartate Metabolism 443 LC/MS Pos Early 234 1165 134.04479 56-84-8 5960 5745 C00049 HMDB00191 hydroxyasparagine** Amino Acid Alanine and Aspartate Metabolism 62060 LC/MS Pos Early 100020205 1149 149.05568 97663 88149 C03124 HMDB32332 N-acetylasparagine Amino Acid Alanine and Aspartate Metabolism 33942 LC/MS Pos Early 100001257 785 175.07134 4033-40-3 99715 90090 HMDB06028 N-carbamoylalanine Amino Acid Alanine and Aspartate Metabolism 52340 LC/MS Pos Early 100006369 950 133.06077 77340-50-2 426409 377278 creatine Amino Acid Creatine Metabolism 27718 LC/MS Pos Early 1221 1947 132.07676 57-00-1 586 566 C00300 HMDB00064 creatinine Amino Acid Creatine Metabolism 513 LC/MS Pos Early 275 2055 114.06619 60-27-5 588 568 C00791 HMDB00562 guanidinoacetate Amino Acid Creatine Metabolism 43802 LC/MS Pos Early 344 1937 118.06111 352-97-6 763 743 C00581 HMDB00128 4-hydroxyglutamate Amino Acid Glutamate Metabolism 40499 LC/MS Pos Early 100002544 1141 164.05535 2485-33-8 439902 388936 C03079 HMDB01344 carboxyethyl-GABA Amino Acid Glutamate Metabolism 40007 LC/MS Pos Early 100003260 2085 176.09174 3/2/4386 2572 2474 HMDB02201 glutamate Amino Acid Glutamate Metabolism 57 LC/MS Pos Early 561 1500 148.06044 56-86-0 611 591 C00025 HMDB00148 glutamine Amino Acid Glutamate Metabolism 53 LC/MS Pos Early 563 1291 147.07642 56-85-9 5961 5746 C00064 HMDB00641 N-acetylglutamate Amino Acid Glutamate Metabolism 15720 LC/MS Pos Early 100000282 1050 190.071 8/3/5817 70914 1266066 C00624 HMDB01138 N-acetylglutamine Amino Acid Glutamate Metabolism 33943 LC/MS Pos Early 100001253 845 189.08699 2490-97-3 182230 158492 C02716 HMDB06029 pyroglutamine* Amino Acid Glutamate Metabolism 46225 LC/MS Pos Early 100001540 1900 129.06586 2353-44-8 134508 118562 S-1-pyrroline-5-carboxylate Amino Acid Glutamate Metabolism 42370 LC/MS Pos Early 35 1528 114.05496 2906-39-0 1196 10140206 C04322 HMDB01301 2-aminobutyrate Amino Acid Glutathione Metabolism 42374 LC/MS Pos Early 1128 2059 104.07061 1492-24-6 439691 388757 C02261 HMDB00650 cys-gly, oxidized Amino Acid Glutathione Metabolism 18368 LC/MS Pos Early 1224 2947 355.07406 7729-20-6 333293 295316 cysteine-glutathione disulfide Amino Acid Glutathione Metabolism 35159 LC/MS Pos Early 100001437 2465 427.09519 13081-14-6 4247235 3455404 HMDB00656 cysteinylglycine Amino Acid Glutathione Metabolism 35637 LC/MS Pos Early 278 2132 179.0485 19246-18-5 439498 58762 C01419 HMDB00078 cysteinylglycine disulfide* Amino Acid Glutathione Metabolism 62103 LC/MS Pos Early 100002466 2547 298.05259 70555-24-7 17215992 HMDB00709 betaine Amino Acid Glycine, Serine and Threonine Metabolism 3141 LC/MS Pos Early 799 1064 118.08626 107-43-7 247 24219951173 C00719 HMDB00043 dimethylglycine Amino Acid Glycine, Serine and Threonine Metabolism 5086 LC/MS Pos Early 806 1104 104.07061 1118-68-9 673 653 C01026 HMDB00092 glycine Amino Acid Glycine, Serine and Threonine Metabolism 58 LC/MS Pos Early 340 1375 76.03931 56-40-6 750 730 C00037 HMDB00123 N-acetylglycine Amino Acid Glycine, Serine and Threonine Metabolism 27710 LC/MS Pos Early 100001006 826 118.04987 543-24-8 10972 10507 HMDB00532 sarcosine Amino Acid Glycine, Serine and Threonine Metabolism 1516 LC/MS Pos Early 1023 1280 90.05496 107-97-1 1088 1057 C00213 HMDB00271 serine Amino Acid Glycine, Serine and Threonine Metabolism 1648 LC/MS Pos Early 503 1239 106.04987 56-45-1 5951 5736 C00065 HMDB00187 threonine Amino Acid Glycine, Serine and Threonine Metabolism 1284 LC/MS Pos Early 564 1514 120.06552 72-19-5 6288 6051 C00188 HMDB00167 4-guanidinobutanoate Amino Acid Guanidino and Acetamido Metabolism 15681 LC/MS Pos Early 100000096 2320 146.09241 463-003;463-00-3 500 486 C01035 HMDB03464 1-methyl-4-imidazoleacetate Amino Acid Histidine Metabolism 32350 LC/MS Pos Early 100001208 2064 141.06586 2625-49-2 75810 68319 C05828 HMDB02820 1-methyl-5-imidazoleacetate Amino Acid Histidine Metabolism 62946 LC/MS Pos Early 100002910 1989 141.06586 4200-48-0 6451814 4954265 HMDB04988 1-methylhistidine Amino Acid Histidine Metabolism 30460 LC/MS Pos Early 100001051 2755 170.09241 332-80-9 92105 83153 C01152 HMDB00001 1-ribosyl-imidazoleacetate* Amino Acid Histidine Metabolism 61868 LC/MS Pos Early 100001668 2006 259.09247 29605-99-0 5117448 4292299 C05131 HMDB02331 3-methylhistidine Amino Acid Histidine Metabolism 15677 LC/MS Pos Early 100000042 2670 170.09241 368-16-1 64969 58494 C01152 HMDB00479 4-imidazoleacetate Amino Acid Histidine Metabolism 32349 LC/MS Pos Early 100001207 2055 127.05021 645-65-8 96215 86856 C02835 HMDB02024 formiminoglutamate Amino Acid Histidine Metabolism 43493 LC/MS Pos Early 100002500 1880 175.07134 816-90-0 439233 388370 C00439 HMDB00854 imidazole lactate Amino Acid Histidine Metabolism 15716 LC/MS Pos Early 100000263 2040 157.06077 14403-45-3 793 389128 C05568 HMDB02320 imidazole propionate Amino Acid Histidine Metabolism 40730 LC/MS Pos Early 100003434 2263 141.06586 1074-59-5 70630 63798 HMDB02271 N-acetyl-1-methylhistidine* Amino Acid Histidine Metabolism 43255 LC/MS Pos Early 100004299 2100 212.1028 53859791 N-acetylhistidine Amino Acid Histidine Metabolism 33946 LC/MS Pos Early 100001293 2065 198.08732 39145-52-3 75619 68142 C02997 HMDB32055 trans-urocanate Amino Acid Histidine Metabolism 607 LC/MS Pos Early 537 2285 139.05021 104-98-3 736715 643824 C00785 HMDB00301 2-methylbutyrylcarnitine (C5) Amino Acid Leucine, Isoleucine and Valine Metabolism 45095 LC/MS Pos Early 100001509 3050 246.16999 31023-25-3 6426901 4932320 HMDB00378 isobutyrylcarnitine (C4) Amino Acid Leucine, Isoleucine and Valine Metabolism 33441 LC/MS Pos Early 100001055 2810 232.15434 25518-49-4 168379 HMDB00736 isoleucine Amino Acid Leucine, Isoleucine and Valine Metabolism 1125 LC/MS Pos Early 376 2800 132.10191 73-32-5 6306 769 C00407 HMDB00172 isovalerylcarnitine (C5) Amino Acid Leucine, Isoleucine and Valine Metabolism 34407 LC/MS Pos Early 100001393 3085 246.16999 31023-24-2 6426851 4932271 HMDB00688 leucine Amino Acid Leucine, Isoleucine and Valine Metabolism 60 LC/MS Pos Early 397 2864 132.10191 61-90-5 6106 tiglylcarnitine (C5:1-DC) Amino Acid Leucine, Isoleucine and Valine Metabolism 35428 LC/MS Pos Early 100001597 2962 244.15434 64191-86-2 22833596 17216200 HMDB02366 valine Amino Acid Leucine, Isoleucine and Valine Metabolism 1649 LC/MS Pos Early 566 2479 118.08626 72-18-4 6287 6050 C00183 HMDB00883 5-(galactosylhydroxy)-L-lysine Amino Acid Lysine Metabolism 43582 LC/MS Pos Early 100002462 2755 325.16055 32448-36-5 123986 5-hydroxylysine Amino Acid Lysine Metabolism 15685 LC/MS Pos Early 100000054 2790 163.10772 13204-98-3 1029 1002 C16741 HMDB00450 glutarylcarnitine (C5-DC) Amino Acid Lysine Metabolism 44664 LC/MS Pos Early 100001593 2393 276.14417 102636-82-8 71464488 21403175 HMDB13130 hydroxy-N6,N6,N6-trimethyllysine* Amino Acid Lysine Metabolism 62959 LC/MS Pos Early 100021123 2759 205.15468 lysine Amino Acid Lysine Metabolism 1301 LC/MS Pos Early 407 2850 147.11281 56-87-1 5962 5747 C00047 HMDB00182 N,N,N-trimethyl-5-aminovalerate Amino Acid Lysine Metabolism 57687 LC/MS Pos Early 100015962 2186 160.13321 14274897 34236878 N,N-dimethyl-5-aminovalerate Amino Acid Lysine Metabolism 62819 LC/MS Pos Early 100020842 2290 146.11756 N2-acetyl,N6-methyllysine Amino Acid Lysine Metabolism 62954 LC/MS Pos Early 100020546 2168 203.13902 N6,N6,N6-trimethyllysine Amino Acid Lysine Metabolism 1498 LC/MS Pos Early 189 2825 189.15976 23284-33-5 440120 140379 C03793 HMDB01325 N6,N6-dimethyllysine Amino Acid Lysine Metabolism 62862 LC/MS Pos Early 100020417 2831 175.14411 2259-86-1 193344 167778 C05545 HMDB13287 N6-methyllysine Amino Acid Lysine Metabolism 62860 LC/MS Pos Early 100003415 2831 161.12846 1188-07-4 164795 144469 C02728 HMDB02038 pipecolate Amino Acid Lysine Metabolism 1444 LC/MS Pos Early 1025 2200 130.08626 4043-87-2 849 826 C00408 HMDB00070 5-methylthioribose** Amino Acid Methionine, Cysteine, SAM and Taurine Metabolism 62100 LC/MS Pos Early 100002103 790 181.05291 23656-67-9 494 480 HMDB01087 cysteine Amino Acid Methionine, Cysteine, SAM and Taurine Metabolism 1868 LC/MS Pos Early 800 1475 122.02703 52-90-4;56-89-3 5862 5653 C00097 HMDB00574 cysteine s-sulfate Amino Acid Methionine, Cysteine, SAM and Taurine Metabolism 22176 LC/MS Pos Early 100000808 565 201.98384 1637-71-4 115015 102939 C05824 HMDB00731 cysteine sulfinic acid Amino Acid Methionine, Cysteine, SAM and Taurine Metabolism 37443 LC/MS Pos Early 100002113 597 154.01686 207121-48-0 109 107 C00606 HMDB00996 cystine Amino Acid Methionine, Cysteine, SAM and Taurine Metabolism 56 LC/MS Pos Early 279 2000 241.03113 56-89-3 67678 575 C00491 HMDB00192 hypotaurine Amino Acid Methionine, Cysteine, SAM and Taurine Metabolism 590 LC/MS Pos Early 358 724 110.02703 300-84-5 107812 96959 C00519 HMDB00965 lanthionine Amino Acid Methionine, Cysteine, SAM and Taurine Metabolism 42002 LC/MS Pos Early 100003892 1730 209.05906 8/2/3183 98504 88959 methionine Amino Acid Methionine, Cysteine, SAM and Taurine Metabolism 1302 LC/MS Pos Early 415 2526 150.05833 63-68-3 6137 5907 C00073 HMDB00696 methionine sulfone Amino Acid Methionine, Cysteine, SAM and Taurine Metabolism 44878 LC/MS Pos Early 100004635 1250 182.04816 820-10-0 69961 63154 methionine sulfoxide Amino Acid Methionine, Cysteine, SAM and Taurine Metabolism 18374 LC/MS Pos Early 100000039 1272 166.05325 3226-65-1 158980 139840 C02989 HMDB02005 N-acetylmethionine sulfoxide Amino Acid Methionine, Cysteine, SAM and Taurine Metabolism 45428 LC/MS Pos Early 100005463 880 208.06381 108646-71-5 193368 167798 S-methylcysteine sulfoxide Amino Acid Methionine, Cysteine, SAM and Taurine Metabolism 43378 LC/MS Pos Early 100002927 900 152.03759 6853-87-8 82142 74136 HMDB29432 S-methylmethionine Amino Acid Methionine, Cysteine, SAM and Taurine Metabolism 38127 LC/MS Pos Early 100002183 2555 164.07398 12/7/3493 458 8351775 C05319 HMDB38670 taurine Amino Acid Methionine, Cysteine, SAM and Taurine Metabolism 2125 LC/MS Pos Early 512 660 126.02195 107-35-7 1123 1091 C00245 HMDB00251 phenylalanine Amino Acid Phenylalanine Metabolism 64 LC/MS Pos Early 460 2878 166.08626 63-91-2 6140 5910 C00079 HMDB00159 (N(1) + N(8))-acetylspermidine Amino Acid Polyamine Metabolism 57814 LC/MS Pos Early 100016038 3080 188.17574 123689;496 5-methylthioadenosine (MTA) Amino Acid Polyamine Metabolism 1419 LC/MS Pos Early 212 2752 298.09684 2457-80-9 439176 388321 C00170 HMDB01173 N-acetyl-isoputreanine Amino Acid Polyamine Metabolism 62309 LC/MS Pos Early 100020487 2305 203.13902 131802901 N-acetylputrescine Amino Acid Polyamine Metabolism 37496 LC/MS Pos Early 192 2230 131.11789 18233-70-0 122356 109095 C02714 HMDB02064 N1,N12-diacetylspermine Amino Acid Polyamine Metabolism 52987 LC/MS Pos Early 100002132 3105 287.24416 61345-83-3 132680 117134 C03413 HMDB02172 spermidine Amino Acid Polyamine Metabolism 485 LC/MS Pos Early 50 3355 146.16518 124-20-9 1102 1071 C00315 HMDB01257 anthranilate Amino Acid Tryptophan Metabolism 4970 LC/MS Pos Early 1258 2606 138.05496 118-92-3 227 222 C00108 HMDB01123 indoleacetylglutamine Amino Acid Tryptophan Metabolism 42087 LC/MS Pos Early 100001731 2185 304.12919 25200879 HMDB13240 kynurenine Amino Acid Tryptophan Metabolism 15140 LC/MS Pos Early 100000265 2739 209.09207 2922-83-0 161166 141580 C00328 HMDB00684 picolinate Amino Acid Tryptophan Metabolism 1512 LC/MS Pos Early 1022 910 124.03931 98-98-6 1018 993 C10164 HMDB02243 serotonin Amino Acid Tryptophan Metabolism 2342 LC/MS Pos Early 504 2550 177.10224 153-98-0 5202 5013 C00780 HMDB00259 tryptophan Amino Acid Tryptophan Metabolism 54 LC/MS Pos Early 565 2986 205.09716 73-22-3 6305 6066 C00078 HMDB00929 tryptophan betaine Amino Acid Tryptophan Metabolism 37097 LC/MS Pos Early 100001743 2673 247.14411 20671-76-5 442106 390633 C09213 HMDB61115 3-methoxytyrosine Amino Acid Tyrosine Metabolism 12017 LC/MS Pos Early 1342 2555 212.09174 300-48-1 1670 8948 HMDB01434 tyrosine Amino Acid Tyrosine Metabolism 1299 LC/MS Pos Early 815 2430 182.08117 60-18-4 6057 5833 C00082 HMDB00158 2-oxoarginine* Amino Acid Urea cycle; Arginine and Proline Metabolism 55072 LC/MS Pos Early 100002784 1760 174.08732 10/4/3715 558 542 C03771 HMDB04225 3-amino-2-piperidone Amino Acid Urea cycle; Arginine and Proline Metabolism 62853 LC/MS Pos Early 100020361 2065 115.08659 1892-22-4 5200225 4371576 HMDB00323 argininate* Amino Acid Urea cycle; Arginine and Proline Metabolism 57461 LC/MS Pos Early 100002769 2150 176.10297 157-07-3 160437 140984 HMDB03148 arginine Amino Acid Urea cycle; Arginine and Proline Metabolism 1638 LC/MS Pos Early 231 2825 175.11896 1119-34-2 232 227 C00062 HMDB00517 citrulline Amino Acid Urea cycle; Arginine and Proline Metabolism 2132 LC/MS Pos Early 391 1520 176.10297 372-75-8 9750 810 C00327 HMDB00904 dimethylarginine (SDMA + ADMA) Amino Acid Urea cycle; Arginine and Proline Metabolism 36808 LC/MS Pos Early 100001810 2850 203.15026 102783-24-4 123831 110375 C03626 HMDB01539 homoarginine Amino Acid Urea cycle; Arginine and Proline Metabolism 22137 LC/MS Pos Early 100000961 2882 189.13461 156-86-5 9085 8732 C01924 HMDB00670 N,N,N-trimethyl-alanylproline betaine (TMAP) Amino Acid Urea cycle; Arginine and Proline Metabolism 62947 LC/MS Pos Early 100020217 2470 229.15467 N-acetylarginine Amino Acid Urea cycle; Arginine and Proline Metabolism 33953 LC/MS Pos Early 100001266 2245 217.12952 155-84-0 67427 60752 C02562 HMDB04620 N-acetylcitrulline Amino Acid Urea cycle; Arginine and Proline Metabolism 48434 LC/MS Pos Early 100001577 1010 218.11354 33965-42-3 656979 571213 C15532 HMDB00856 N-methylproline Amino Acid Urea cycle; Arginine and Proline Metabolism 37431 LC/MS Pos Early 100001956 1335 130.08626 475-11-6 557 541 N-monomethylarginine Amino Acid Urea cycle; Arginine and Proline Metabolism 43586 LC/MS Pos Early 100004488 2845 189.13461 53308-83-1 132862 117259 C03884 HMDB29416 ornithine Amino Acid Urea cycle; Arginine and Proline Metabolism 1493 LC/MS Pos Early 444 2800 133.09716 3184-13-2 6262 6026 C00077 HMDB03374 pro-hydroxy-pro Amino Acid Urea cycle; Arginine and Proline Metabolism 35127 LC/MS Pos Early 100001167 2128 229.11829 18684-24-7 11673055 9847785 HMDB06695 proline Amino Acid Urea cycle; Arginine and Proline Metabolism 1898 LC/MS Pos Early 480 1603 116.07061 147-85-3 145742 128566 C00148 HMDB00162 trans-4-hydroxyproline Amino Acid Urea cycle; Arginine and Proline Metabolism 32306 LC/MS Pos Early 1001 1064 132.06552 51-35-4 5810 5605 C01157 HMDB00725 urea Amino Acid Urea cycle; Arginine and Proline Metabolism 1670 LC/MS Pos Early 533 700 121.07201 57-13-6 1176 1143 C00086 HMDB00294 N-acetylglucosamine/N-acetylgalactosamine Carbohydrate Aminosugar Metabolism 46539 LC/MS Pos Early 100006435 715 222.0972 24139 HMDB00215 N-acetylglucosaminylasparagine Carbohydrate Aminosugar Metabolism 48149 LC/MS Pos Early 1215 1212 336.14015 2776-93-4 123826 21403014 C04540 HMDB00489 N-acetylneuraminate Carbohydrate Aminosugar Metabolism 32377 LC/MS Pos Early 1162 660 310.11326 131-48-6 439197 10292217 C00270 HMDB00230 1-methylnicotinamide Cofactors and Vitamins Nicotinate and Nicotinamide Metabolism 27665 LC/MS Pos Early 55 1940 137.07094 1005-24-9 457 8305504 C02918 HMDB00699 N1-Methyl-2-pyridone-5-carboxamide Cofactors and Vitamins Nicotinate and Nicotinamide Metabolism 40469 LC/MS Pos Early 100001468 1250 153.06586 701-44-0 69698 62899 C05842 HMDB04193 N1-Methyl-4-pyridone-3-carboxamide Cofactors and Vitamins Nicotinate and Nicotinamide Metabolism 57584 LC/MS Pos Early 100001469 1260 153.06586 769-49-3 440810 389671 C05843 HMDB04194 nicotinamide Cofactors and Vitamins Nicotinate and Nicotinamide Metabolism 594 LC/MS Pos Early 432 1942 123.05529 98-92-0 936 911 C00153 HMDB01406 quinolinate Cofactors and Vitamins Nicotinate and Nicotinamide Metabolism 1899 LC/MS Pos Early 182 845 168.02914 89-00-9 1066 1037 C03722 HMDB00232 trigonelline (N'-methylnicotinate) Cofactors and Vitamins Nicotinate and Nicotinamide Metabolism 32401 LC/MS Pos Early 100001092 1388 138.05496 535-83-1 5570 5369 C01004 HMDB00875 phosphate Energy Oxidative Phosphorylation 42109 LC/MS Pos Early 461 576 98.98418 7664-38-2 1061 1032 C00009 HMDB01429 citrate Energy TCA Cycle 1564 LC/MS Pos Early 1124 915 210.0608 77-92-9 311 305 C00158 HMDB00094 isocitrate Energy TCA Cycle 12110 LC/MS Pos Early 1206 773 210.0608 20226-99-7 1198 1161 C00311 HMDB00193 succinylcarnitine (C4-DC) Energy TCA Cycle 37058 LC/MS Pos Early 100001948 2291 262.12852 256928-74-2 71464481 28639166 HMDB61717 carnitine Lipid Carnitine Metabolism 15500 LC/MS Pos Early 100000007 1978 162.11247 461-05-2 10917 10455 C00318 HMDB00062 deoxycarnitine Lipid Carnitine Metabolism 36747 LC/MS Pos Early 100001662 2052 146.11756 6249-56-5 134 705 C01181 HMDB01161 adipoylcarnitine (C6-DC) Lipid Fatty Acid Metabolism (Acyl Carnitine, Dicarboxylate) 52988 LC/MS Pos Early 100006614 2570 290.15982 71296139 28540385 HMDB61677 pimeloylcarnitine/3-methyladipoylcarnitine (C7-DC) Lipid Fatty Acid Metabolism (Acyl Carnitine, Dicarboxylate) 53224 LC/MS Pos Early 100009407 2773 304.17547 (R)-3-hydroxybutyrylcarnitine Lipid Fatty Acid Metabolism (Acyl Carnitine, Hydroxy) 43264 LC/MS Pos Early 100003926 2400 248.14925 53481617 HMDB13127 (S)-3-hydroxybutyrylcarnitine Lipid Fatty Acid Metabolism (Acyl Carnitine, Hydroxy) 52984 LC/MS Pos Early 100009271 2340 248.14925 HMDB13127 hexanoylcarnitine (C6) Lipid Fatty Acid Metabolism (Acyl Carnitine, Medium Chain) 32328 LC/MS Pos Early 100000781 3358 260.18564 6920-35-0 6426853 4932273 HMDB00705 acetylcarnitine (C2) Lipid Fatty Acid Metabolism (Acyl Carnitine, Short Chain) 32198 LC/MS Pos Early 100000802 2282 204.12304 5080-50-2 1 5406074 C02571 HMDB00201 3-hydroxybutyroylglycine** Lipid Fatty Acid Metabolism (Acyl Glycine) 62064 LC/MS Pos Early 100020211 978 162.07608 butyrylcarnitine (C4) Lipid Fatty Acid Metabolism (also BCAA Metabolism) 32412 LC/MS Pos Early 100001054 2860 232.15434 25576-40-3 439829 184820 C02862 HMDB02013 propionylcarnitine (C3) Lipid Fatty Acid Metabolism (also BCAA Metabolism) 32452 LC/MS Pos Early 100001162 2590 218.13869 17298-37-2 107738 96904 C03017 HMDB00824 2-aminoheptanoate Lipid Fatty Acid, Amino 43761 LC/MS Pos Early 100004542 3160 146.11756 1115-90-8 227939 198338 2-hydroxyglutarate Lipid Fatty Acid, Dicarboxylate 37253 LC/MS Pos Early 100002070 958 131.03389 40951-21-1 43 42 C02630 HMDB0059655 glycerol 3-phosphate Lipid Glycerolipid Metabolism 43847 LC/MS Pos Early 100000258 580 173.02095 29849-82-9 754 734 C00093 HMDB00126 choline Lipid Phospholipid Metabolism 15506 LC/MS Pos Early 1256 1961 104.10699 67-48-1 305 149278 C00114 HMDB00097 choline phosphate Lipid Phospholipid Metabolism 34396 LC/MS Pos Early 267 700 184.07332 72556-74-2 1014 119298 C00588 HMDB01565 glycerophosphoethanolamine Lipid Phospholipid Metabolism 37455 LC/MS Pos Early 100001620 659 216.06315 33049-08-0 123874 110410 C01233 HMDB00114 glycerophosphoinositol* Lipid Phospholipid Metabolism 52307 LC/MS Pos Early 100001621 516 335.07378 16824-65-0 167572 glycerophosphorylcholine (GPC) Lipid Phospholipid Metabolism 15990 LC/MS Pos Early 100000269 672 258.1101 28319-77-9 71920 571409 C00670 HMDB00086 glycerophosphoserine* Lipid Phospholipid Metabolism 57404 LC/MS Pos Early 100015666 577 260.05298 3081457 2339060 phosphoethanolamine Lipid Phospholipid Metabolism 1600 LC/MS Pos Early 1026 700 142.02638 1071-23-4 1015 990 C00346 HMDB00224 trimethylamine N-oxide Lipid Phospholipid Metabolism 40406 LC/MS Pos Early 100003397 2100 76.07569 1184-78-7 1145 1113 C01104 HMDB00925 methylphosphate Nucleotide Purine and Pyrimidine Metabolism 37070 LC/MS Pos Early 100001805 544 112.99983 7023-27-0 13130 12578 HMDB61711 N1-methylinosine Nucleotide Purine Metabolism, (Hypo)Xanthine/Inosine containing 48351 LC/MS Pos Early 100001409 1430 283.1037 20245-33-4 65095 513976 HMDB02721 adenine Nucleotide Purine Metabolism, Adenine containing 554 LC/MS Pos Early 880 2221 136.06178 73-24-5 190 185 C00147 HMDB00034 adenosine 5'-monophosphate (AMP) Nucleotide Purine Metabolism, Adenine containing 32342 LC/MS Pos Early 209 1013 348.07037 149022-20-8 6083 10239183 C00020 HMDB00045 N1-methyladenosine Nucleotide Purine Metabolism, Adenine containing 15650 LC/MS Pos Early 1242 2120 282.11969 15763-06-1 27476 4573813 C02494 HMDB03331 N6-methyladenosine Nucleotide Purine Metabolism, Adenine containing 37114 LC/MS Pos Early 213 2264 282.11969 1867-73-8 102175 92307 HMDB04044 7-methylguanine Nucleotide Purine Metabolism, Guanine containing 35114 LC/MS Pos Early 100001456 2175 166.07234 578-76-7 11361 10883 C02242 HMDB00897 guanosine Nucleotide Purine Metabolism, Guanine containing 1573 LC/MS Pos Early 1099 1728 284.09895 118-00-3 6802 6544 C00387 HMDB00133 N2,N2-dimethylguanosine Nucleotide Purine Metabolism, Guanine containing 35137 LC/MS Pos Early 100001412 2210 312.13025 2140-67-2 92919 83878 HMDB04824 2'-O-methylcytidine Nucleotide Pyrimidine Metabolism, Cytidine containing 57554 LC/MS Pos Early 100010895 2411 258.10845 2140-72-9 150971 133067 3-methylcytidine Nucleotide Pyrimidine Metabolism, Cytidine containing 35132 LC/MS Pos Early 100001466 2176 258.10845 21028-20-6 159649 9164190 cytidine Nucleotide Pyrimidine Metabolism, Cytidine containing 514 LC/MS Pos Early 827 2124 244.0928 65-46-3 6175 5940 C00475 HMDB00089 cytosine Nucleotide Pyrimidine Metabolism, Cytidine containing 573 LC/MS Pos Early 881 2060 112.05054 71-30-7 597 577 C00380 HMDB00630 3-aminoisobutyrate Nucleotide Pyrimidine Metabolism, Thymine containing 1566 LC/MS Pos Early 1114 2190 104.07061 10569-72-9;214139-20-5 64956 58481 C05145 HMDB03911 3-ureidopropionate Nucleotide Pyrimidine Metabolism, Uracil containing 3155 LC/MS Pos Early 1053 875 133.06077 462-88-4 111 109 C02642 HMDB00026 beta-alanine Nucleotide Pyrimidine Metabolism, Uracil containing 55 LC/MS Pos Early 244 1905 90.05496 56-41-7;107-95-9 239 234 C00099 HMDB00056 phenylacetylcarnitine Peptide Acetylated Peptides 48425 LC/MS Pos Early 100006108 3092 280.15434 287108-21-8 101724840 glycylvaline Peptide Dipeptide 18357 LC/MS Pos Early 100000487 2734 175.10772 1963-21-9 97417 2006926 HMDB28854 leucylglycine Peptide Dipeptide 40045 LC/MS Pos Early 100003185 2778 189.12337 686-50-0 79070 71402 HMDB28929 phenylalanylglycine Peptide Dipeptide 41370 LC/MS Pos Early 100003588 2898 223.10772 721-90-4 98207 88678 HMDB28995 prolylglycine Peptide Dipeptide 40703 LC/MS Pos Early 100003674 2136 173.09207 2578-57-6 6426709 4932143 HMDB11178 gamma-glutamyl-2-aminobutyrate Peptide Gamma-glutamyl Amino Acid 37092 LC/MS Pos Early 100001502 2380 233.1132 16869-42-4 21403151 gamma-glutamyl-alpha-lysine Peptide Gamma-glutamyl Amino Acid 55015 LC/MS Pos Early 100010901 2784 276.1554 65254 58747 gamma-glutamyl-epsilon-lysine Peptide Gamma-glutamyl Amino Acid 33934 LC/MS Pos Early 100001262 2725 276.1554 17105-15-6 7015685 5378717 HMDB03869 gamma-glutamylalanine Peptide Gamma-glutamyl Amino Acid 37063 LC/MS Pos Early 100001843 1986 219.09755 5875-41-2 440103 389104 HMDB29142 gamma-glutamylcitrulline* Peptide Gamma-glutamyl Amino Acid 62104 LC/MS Pos Early 100020241 1644 305.14556 gamma-glutamylglutamate Peptide Gamma-glutamyl Amino Acid 36738 LC/MS Pos Early 331 1775 277.10303 1116-22-9 92865 83831 C05282 HMDB11737 gamma-glutamylglutamine Peptide Gamma-glutamyl Amino Acid 2730 LC/MS Pos Early 1140 1430 276.11902 10148-81-9 150914 133013 C05283 HMDB11738 gamma-glutamylglycine Peptide Gamma-glutamyl Amino Acid 33949 LC/MS Pos Early 100001294 1535 205.0819 1948-29-4 165527 145071 HMDB11667 gamma-glutamylhistidine Peptide Gamma-glutamyl Amino Acid 18245 LC/MS Pos Early 1235 2740 285.11935 37460-15-4 7017195 5380197 gamma-glutamylisoleucine* Peptide Gamma-glutamyl Amino Acid 34456 LC/MS Pos Early 100001485 2940 261.1445 14253342 21403145 HMDB11170 gamma-glutamylleucine Peptide Gamma-glutamyl Amino Acid 18369 LC/MS Pos Early 1268 2991 261.1445 2566-39-4 151023 133115 HMDB11171 gamma-glutamylmethionine Peptide Gamma-glutamyl Amino Acid 44872 LC/MS Pos Early 100001313 2640 279.10092 17663-87-5 7009567 5373147 HMDB29155 gamma-glutamylphenylalanine Peptide Gamma-glutamyl Amino Acid 33422 LC/MS Pos Early 100000491 2992 295.12885 7432-24-8 111299 99868 HMDB00594 gamma-glutamylserine Peptide Gamma-glutamyl Amino Acid 54914 LC/MS Pos Early 100009231 1351 235.09247 5875-35-4 18691889 gamma-glutamylthreonine Peptide Gamma-glutamyl Amino Acid 33364 LC/MS Pos Early 100001314 1750 249.10812 5652-48-2 76078708 21403107 HMDB29159 N-methylpipecolate Xenobiotics Bacterial/Fungal 47101 LC/MS Pos Early 100005383 1932 144.10191 41447-17-0 11286529 9461516 dimethyl sulfone Xenobiotics Chemical 43424 LC/MS Pos Early 100004284 832 95.01613 67-71-0 6213 5978 C11142 HMDB04983 ectoine Xenobiotics Chemical 35651 LC/MS Pos Early 100001635 1980 143.08151 96702-03-3 126041 112069 C06231 thioproline Xenobiotics Chemical 53231 LC/MS Pos Early 100009232 1250 134.02703 34592-47-4 93176 84120 3-(cystein-S-yl)acetaminophen* Xenobiotics Drug - Analgesics, Anesthetics 34365 LC/MS Pos Early 100001797 2420 271.07471 5233914 4403253 sulfamethoxazole Xenobiotics Drug - Antibiotic 53240 LC/MS Pos Early 100009327 2405 254.05939 5329 5138 D00285,C07315,D00447 HMDB15150 S-carboxymethyl-L-cysteine Xenobiotics Drug - Other 47897 LC/MS Pos Early 100002324 1490 180.03251 638-23-3 1080 1050 C03727 HMDB29415 2-piperidinone Xenobiotics Food Component/Plant 43400 LC/MS Pos Early 100004295 1675 100.07569 675-20-7 12665 12144 HMDB11749 3-formylindole Xenobiotics Food Component/Plant 62863 LC/MS Pos Early 100020219 2736 146.06004 487-89-8 10256 9838 C08493 HMDB29737 ergothioneine Xenobiotics Food Component/Plant 37459 LC/MS Pos Early 100002154 850 230.09578 58511-63-0 3032311 2297320 C05570 HMDB03045 histidine betaine (hercynine)* Xenobiotics Food Component/Plant 62278 LC/MS Pos Early 100004059 2094 198.12371 534-30-5 3083620 2340795 homostachydrine* Xenobiotics Food Component/Plant 33009 LC/MS Pos Early 100001550 1750 158.11756 1195-94-4 441447 390180 C08283 HMDB33433 indolin-2-one Xenobiotics Food Component/Plant 43374 LC/MS Pos Early 100004318 2575 134.06004 59-48-3 321710 284794 C12312 methyl indole-3-acetate Xenobiotics Food Component/Plant 1584 LC/MS Pos Early 1104 3380 190.08626 1912-33-0 74706 67279 HMDB29738 S-allylcysteine Xenobiotics Food Component/Plant 43239 LC/MS Pos Early 100004509 2690 162.05833 21593-77-1 98280 88744 HMDB34323 stachydrine Xenobiotics Food Component/Plant 34384 LC/MS Pos Early 100001296 1440 144.10191 4136-37-2 115244 103115 C10172 HMDB04827 theanine Xenobiotics Food Component/Plant 22206 LC/MS Pos Early 100000784 2180 175.10772 3081-61-6 439378 388498 C01047 HMDB34365 caffeine Xenobiotics Xanthine Metabolism 569 LC/MS Pos Early 849 2106 195.08766 58-08-2 2519 2424 C07481 HMDB01847 paraxanthine Xenobiotics Xanthine Metabolism 18254 LC/MS Pos Early 100000453 1810 181.07201 611-59-6 4687 4525 C13747 HMDB01860 theobromine Xenobiotics Xanthine Metabolism 18392 LC/MS Pos Early 100000445 1600 181.07201 83-67-0 5429 5236 C07480 HMDB02825 theophylline Xenobiotics Xanthine Metabolism 18394 LC/MS Pos Early 100000437 1870 181.07201 58-55-9 2153 2068 C07130 HMDB01889 bilirubin (E,E)* Cofactors and Vitamins Hemoglobin and Porphyrin Metabolism 32586 LC/MS Pos Late 100001950 1045 585.27076 5315454 4474753 bilirubin (Z,Z) Cofactors and Vitamins Hemoglobin and Porphyrin Metabolism 43807 LC/MS Pos Late 1090 1840 585.27076 635-65-4 5280352 4444055 C00486 HMDB00054 biliverdin Cofactors and Vitamins Hemoglobin and Porphyrin Metabolism 2137 LC/MS Pos Late 250 1016 583.25512 55482-27-4;55482-27-4 5353439 10628548 C00500 HMDB01008 heme Cofactors and Vitamins Hemoglobin and Porphyrin Metabolism 41754 LC/MS Pos Late 100001386 1124 616.1762 14875-96-8 26945 C00032 HMDB03178 L-urobilin Cofactors and Vitamins Hemoglobin and Porphyrin Metabolism 40173 LC/MS Pos Late 100002568 901 595.34902 34217-90-8 5280818 4444369 C05793 HMDB04159 alpha-tocopherol Cofactors and Vitamins Tocopherol Metabolism 1561 LC/MS Pos Late 1105 2522 430.37818 59-02-9;10191-41-0 14985 14265 C02477 HMDB01893 gamma-tocopherol/beta-tocopherol Cofactors and Vitamins Tocopherol Metabolism 52473 LC/MS Pos Late 100008998 2384 416.36427 beta-cryptoxanthin Cofactors and Vitamins Vitamin A Metabolism 57591 LC/MS Pos Late 100001977 2560 552.43257 472-70-8 6384256 4904571 HMDB33844 carotene diol (2) Cofactors and Vitamins Vitamin A Metabolism 57636 LC/MS Pos Late 100015967 1904 568.42793 carotene diol (3) Cofactors and Vitamins Vitamin A Metabolism 57637 LC/MS Pos Late 100015968 1948 568.42786 retinol (Vitamin A) Cofactors and Vitamins Vitamin A Metabolism 1806 LC/MS Pos Late 498 1636 269.22639 68-26-8 445354 393012 C00473 HMDB00305 octadecanedioylcarnitine (C18-DC)* Lipid Fatty Acid Metabolism (Acyl Carnitine, Dicarboxylate) 61867 LC/MS Pos Late 100005998 1227 458.34762 123233-50-1 28639203 octadecenedioylcarnitine (C18:1-DC)* Lipid Fatty Acid Metabolism (Acyl Carnitine, Dicarboxylate) 61865 LC/MS Pos Late 100005996 1180 456.33197 251981-06-3 28639201 arachidoylcarnitine (C20)* Lipid Fatty Acid Metabolism (Acyl Carnitine, Long Chain Saturated) 57513 LC/MS Pos Late 100015833 1512 456.40474 28639199 HMDB06460 behenoylcarnitine (C22)* Lipid Fatty Acid Metabolism (Acyl Carnitine, Long Chain Saturated) 57514 LC/MS Pos Late 100015832 1561 484.43604 28639204 cerotoylcarnitine (C26)* Lipid Fatty Acid Metabolism (Acyl Carnitine, Long Chain Saturated) 57516 LC/MS Pos Late 100015835 1649 540.49864 35015992 HMDB06347 lignoceroylcarnitine (C24)* Lipid Fatty Acid Metabolism (Acyl Carnitine, Long Chain Saturated) 57515 LC/MS Pos Late 100015834 1603 512.46733 myristoylcarnitine (C14) Lipid Fatty Acid Metabolism (Acyl Carnitine, Long Chain Saturated) 33952 LC/MS Pos Late 100001270 1350 372.31084 18822-89-4 6426854 4932274 HMDB05066 palmitoylcarnitine (C16) Lipid Fatty Acid Metabolism (Acyl Carnitine, Long Chain Saturated) 44681 LC/MS Pos Late 100000776 1425 400.34214 6865-14-1 461 448 C02990 HMDB00222 stearoylcarnitine (C18) Lipid Fatty Acid Metabolism (Acyl Carnitine, Long Chain Saturated) 34409 LC/MS Pos Late 100001391 1485 428.37344 18822-91-8 6426855 21233653 HMDB00848 decanoylcarnitine (C10) Lipid Fatty Acid Metabolism (Acyl Carnitine, Medium Chain) 33941 LC/MS Pos Late 100001251 1130 316.24824 1492-27-9 10245190 8420677 HMDB00651 laurylcarnitine (C12) Lipid Fatty Acid Metabolism (Acyl Carnitine, Medium Chain) 34534 LC/MS Pos Late 100001392 1235 344.27954 25518-54-1 10427569 8602997 HMDB02250 nonanoylcarnitine (C9) Lipid Fatty Acid Metabolism (Acyl Carnitine, Medium Chain) 61775 LC/MS Pos Late 100006620 1010 302.23259 28533402 HMDB13288 octanoylcarnitine (C8) Lipid Fatty Acid Metabolism (Acyl Carnitine, Medium Chain) 33936 LC/MS Pos Late 100001247 950 288.21694 3671-77-0 123701 110274 C02838 HMDB00791 5-dodecenoylcarnitine (C12:1) Lipid Fatty Acid Metabolism (Acyl Carnitine, Monounsaturated) 61769 LC/MS Pos Late 100016069 1135 342.26389 HMDB13326 cis-4-decenoylcarnitine (C10:1) Lipid Fatty Acid Metabolism (Acyl Carnitine, Monounsaturated) 38178 LC/MS Pos Late 100002259 1057 314.23259 98930-66-6 28639171 myristoleoylcarnitine (C14:1)* Lipid Fatty Acid Metabolism (Acyl Carnitine, Monounsaturated) 48182 LC/MS Pos Late 100006051 1316 370.29471 889848-55-9 90659872 34999520 nervonoylcarnitine (C24:1)* Lipid Fatty Acid Metabolism (Acyl Carnitine, Monounsaturated) 57531 LC/MS Pos Late 100015846 1602 510.45168 oleoylcarnitine (C18:1) Lipid Fatty Acid Metabolism (Acyl Carnitine, Monounsaturated) 35160 LC/MS Pos Late 100001501 1423 426.35779 38677-66-6 6441392 21403150 HMDB05065 palmitoleoylcarnitine (C16:1)* Lipid Fatty Acid Metabolism (Acyl Carnitine, Monounsaturated) 53223 LC/MS Pos Late 100009406 1357 398.32649 71464547 28639183 ximenoylcarnitine (C26:1)* Lipid Fatty Acid Metabolism (Acyl Carnitine, Monounsaturated) 57517 LC/MS Pos Late 100015836 1607 538.48299 arachidonoylcarnitine (C20:4) Lipid Fatty Acid Metabolism (Acyl Carnitine, Polyunsaturated) 57518 LC/MS Pos Late 100015837 1353 448.34215 dihomo-linolenoylcarnitine (C20:3n3 or 6)* Lipid Fatty Acid Metabolism (Acyl Carnitine, Polyunsaturated) 57521 LC/MS Pos Late 100015840 1392 450.35777 dihomo-linoleoylcarnitine (C20:2)* Lipid Fatty Acid Metabolism (Acyl Carnitine, Polyunsaturated) 57520 LC/MS Pos Late 100015839 1436 452.37343 linoleoylcarnitine (C18:2)* Lipid Fatty Acid Metabolism (Acyl Carnitine, Polyunsaturated) 46223 LC/MS Pos Late 100003151 1430 424.34214 36816-10-1 6450015 4952667 HMDB06469 arachidonoylcholine Lipid Fatty Acid Metabolism (Acyl Choline) 53261 LC/MS Pos Late 100009332 1390 390.33666 dihomo-linolenoyl-choline Lipid Fatty Acid Metabolism (Acyl Choline) 53262 LC/MS Pos Late 100009335 1424 392.35231 docosahexaenoylcholine Lipid Fatty Acid Metabolism (Acyl Choline) 53263 LC/MS Pos Late 100009333 1378 414.33666 linoleoylcholine* Lipid Fatty Acid Metabolism (Acyl Choline) 57463 LC/MS Pos Late 100015760 1388 366.33666 oleoylcholine Lipid Fatty Acid Metabolism (Acyl Choline) 53260 LC/MS Pos Late 100009331 1449 368.35231 palmitoylcholine Lipid Fatty Acid Metabolism (Acyl Choline) 52944 LC/MS Pos Late 100009233 1482 342.33666 151731 133731 stearoylcholine* Lipid Fatty Acid Metabolism (Acyl Choline) 57464 LC/MS Pos Late 100015759 1520 370.36797 2-aminooctanoate Lipid Fatty Acid, Amino 43343 LC/MS Pos Late 100004227 750 160.13321 644-90-6 69522 62727 HMDB00991 glycodeoxycholate Lipid Secondary Bile Acid Metabolism 18477 LC/MS Pos Late 100000436 1302 450.3214 360-65-6 3035026 C05464 HMDB00631 sphingadienine Lipid Sphingolipid Synthesis 57426 LC/MS Pos Late 100015643 1350 298.27406 25696-03-1 6449795 4952479 sphinganine Lipid Sphingolipid Synthesis 17769 LC/MS Pos Late 313 1413 302.30536 3102-56-5 3126 3014 C00836 HMDB00269 sphinganine-1-phosphate Lipid Sphingolipid Synthesis 52605 LC/MS Pos Late 100001876 1431 382.27169 19794-97-9 520 505 HMDB01383 sphingosine Lipid Sphingosines 17747 LC/MS Pos Late 297 1393 300.28971 123-78-4 5353955 4510275 C00319 HMDB00252 sphingosine 1-phosphate Lipid Sphingosines 34445 LC/MS Pos Late 100000626 1375 380.25604 26993-30-6 5283560 4446673 C06124 HMDB00277 4-cholesten-3-one Lipid Sterol 38125 LC/MS Pos Late 100002227 2520 385.3465 601-57-0 91477 427 C00599 HMDB00921 beta-sitosterol Lipid Sterol 27414 LC/MS Pos Late 100001033 3054 397.38289 83-46-5 222284 192962 C01753 HMDB00852 campesterol Lipid Sterol 33997 LC/MS Pos Late 100001269 2873 383.36724 474-62-4 173183 151215 C01789 HMDB02869 cholesterol Lipid Sterol 63 LC/MS Pos Late 266 2707 369.35159 57-88-5 11025495 4937803 C00187 HMDB00067 METABOLITES_END #END