#METABOLOMICS WORKBENCH efahy_20180114_125103 DATATRACK_ID:1298 STUDY_ID:ST000916 ANALYSIS_ID:AN001492 PROJECT_ID:PR000633 VERSION 1 CREATED_ON January 14, 2018, 12:52 pm #PROJECT PR:PROJECT_TITLE Biomarkers of NAFLD progression: a lipidomics approach to an epidemic PR:PROJECT_TYPE Lipidomics Study PR:PROJECT_SUMMARY The spectrum of nonalcoholic fatty liver disease (NAFLD) includes steatosis, PR:PROJECT_SUMMARY nonalcoholic steatohepatitis (NASH), and cirrhosis. Recognition and timely PR:PROJECT_SUMMARY diagnosis of these different stages, particularly NASH, is important for both PR:PROJECT_SUMMARY potential reversibility and limitation of complications. Liver biopsy remains PR:PROJECT_SUMMARY the clinical standard for definitive diagnosis. Diagnostic tools minimizing the PR:PROJECT_SUMMARY need for invasive procedures or that add information to histologic data are PR:PROJECT_SUMMARY important in novel management strategies for the growing epidemic of NAFLD. We PR:PROJECT_SUMMARY describe an 'omics' approach to detecting a reproducible signature of lipid PR:PROJECT_SUMMARY metabolites, aqueous intracellular metabolites, SNPs, and mRNA transcripts in a PR:PROJECT_SUMMARY double-blinded study of patients with different stages of NAFLD that involves PR:PROJECT_SUMMARY profiling liver biopsies, plasma, and urine samples. Using linear discriminant PR:PROJECT_SUMMARY analysis, a panel of 20 plasma metabolites that includes glycerophospholipids, PR:PROJECT_SUMMARY sphingolipids, sterols, and various aqueous small molecular weight components PR:PROJECT_SUMMARY involved in cellular metabolic pathways, can be used to differentiate between PR:PROJECT_SUMMARY NASH and steatosis. This identification of differential biomolecular signatures PR:PROJECT_SUMMARY has the potential to improve clinical diagnosis and facilitate therapeutic PR:PROJECT_SUMMARY intervention of NAFLD. PR:INSTITUTE University of California, San Diego PR:DEPARTMENT Bioengineering PR:LAST_NAME Fahy PR:FIRST_NAME Eoin PR:ADDRESS 9500 Gilman, La Jolla, CA, 92093, USA PR:EMAIL efahy@ucsd.edu PR:PHONE 858-534-4076 PR:FUNDING_SOURCE NIGMS Grant GM U54069338 PR:PUBLICATIONS https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4340319/ PR:CONTRIBUTORS LIPID MAPS Consortium #STUDY ST:STUDY_TITLE Biomarkers of NAFLD progression: a lipidomics approach to an epidemic. Part ST:STUDY_TITLE 1:Plasma ST:STUDY_TYPE Lipidomics Study ST:STUDY_SUMMARY The spectrum of nonalcoholic fatty liver disease (NAFLD) includes steatosis, ST:STUDY_SUMMARY nonalcoholic steatohepatitis (NASH), and cirrhosis. Recognition and timely ST:STUDY_SUMMARY diagnosis of these different stages, particularly NASH, is important for both ST:STUDY_SUMMARY potential reversibility and limitation of complications. Liver biopsy remains ST:STUDY_SUMMARY the clinical standard for definitive diagnosis. Diagnostic tools minimizing the ST:STUDY_SUMMARY need for invasive procedures or that add information to histologic data are ST:STUDY_SUMMARY important in novel management strategies for the growing epidemic of NAFLD. We ST:STUDY_SUMMARY describe an 'omics' approach to detecting a reproducible signature of lipid ST:STUDY_SUMMARY metabolites, aqueous intracellular metabolites, SNPs, and mRNA transcripts in a ST:STUDY_SUMMARY double-blinded study of patients with different stages of NAFLD that involves ST:STUDY_SUMMARY profiling liver biopsies, plasma, and urine samples. Using linear discriminant ST:STUDY_SUMMARY analysis, a panel of 20 plasma metabolites that includes glycerophospholipids, ST:STUDY_SUMMARY sphingolipids, sterols, and various aqueous small molecular weight components ST:STUDY_SUMMARY involved in cellular metabolic pathways, can be used to differentiate between ST:STUDY_SUMMARY NASH and steatosis. This identification of differential biomolecular signatures ST:STUDY_SUMMARY has the potential to improve clinical diagnosis and facilitate therapeutic ST:STUDY_SUMMARY intervention of NAFLD. ST:INSTITUTE University of California, San Diego ST:DEPARTMENT Bioengineering ST:LAST_NAME Fahy ST:FIRST_NAME Eoin ST:ADDRESS 9500 Gilman, La Jolla, CA, 92093, USA ST:EMAIL efahy@ucsd.edu ST:PHONE 858-534-4076 ST:PUBLICATIONS https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4340319/ #SUBJECT SU:SUBJECT_TYPE Human clinical study SU:SUBJECT_SPECIES Homo sapiens SU:TAXONOMY_ID 9606 SU:AGE_OR_AGE_RANGE 23-83 SU:GENDER Male and Female SU:HUMAN_ETHNICITY Black/White #SUBJECT_SAMPLE_FACTORS: SUBJECT(optional)[tab]SAMPLE[tab]FACTORS(NAME:VALUE pairs separated by |)[tab]Additional sample data SUBJECT_SAMPLE_FACTORS - NASH005 Diagnosis:Cirrhosis GENDER=M; BMI=31; ETHNICITY=White; AGE=45; AST=55; ALT=20; ALKP=171; TBIL=8.2; GLUCOSE=- SUBJECT_SAMPLE_FACTORS - NASH007 Diagnosis:Cirrhosis GENDER=F; BMI=40.3; ETHNICITY=White; AGE=64; AST=39; ALT=20; ALKP=102; TBIL=3; GLUCOSE=92 SUBJECT_SAMPLE_FACTORS - NASH009 Diagnosis:Cirrhosis GENDER=M; BMI=40; ETHNICITY=White; AGE=49; AST=162; ALT=66; ALKP=123; TBIL=10.5; GLUCOSE=119 SUBJECT_SAMPLE_FACTORS - NASH013 Diagnosis:Cirrhosis GENDER=M; BMI=35; ETHNICITY=White; AGE=59; AST=44; ALT=32; ALKP=95; TBIL=2.9; GLUCOSE=100 SUBJECT_SAMPLE_FACTORS - NASH016 Diagnosis:Cirrhosis GENDER=M; BMI=26; ETHNICITY=Asian; AGE=66; AST=223; ALT=100; ALKP=149; TBIL=5.2; GLUCOSE=117 SUBJECT_SAMPLE_FACTORS - NASH022 Diagnosis:Cirrhosis GENDER=M; BMI=27; ETHNICITY=White; AGE=63; AST=55; ALT=34; ALKP=91; TBIL=6.5; GLUCOSE=220 SUBJECT_SAMPLE_FACTORS - NASH026 Diagnosis:Cirrhosis GENDER=M; BMI=26.5; ETHNICITY=White; AGE=57; AST=18; ALT=38; ALKP=37; TBIL=4.2; GLUCOSE=122 SUBJECT_SAMPLE_FACTORS - NASH027 Diagnosis:Cirrhosis GENDER=M; BMI=31; ETHNICITY=-; AGE=58; AST=30; ALT=36; ALKP=105; TBIL=3.4; GLUCOSE=131 SUBJECT_SAMPLE_FACTORS - NASH028 Diagnosis:Cirrhosis GENDER=F; BMI=31; ETHNICITY=White; AGE=48; AST=46; ALT=47; ALKP=192; TBIL=2.4; GLUCOSE=173 SUBJECT_SAMPLE_FACTORS - NASH029 Diagnosis:Cirrhosis GENDER=F; BMI=21.5; ETHNICITY=White; AGE=49; AST=92; ALT=54; ALKP=277; TBIL=41.7; GLUCOSE=113 SUBJECT_SAMPLE_FACTORS - NASH040 Diagnosis:Cirrhosis GENDER=F; BMI=44; ETHNICITY=White; AGE=63; AST=36; ALT=26; ALKP=62; TBIL=1.7; GLUCOSE=65 SUBJECT_SAMPLE_FACTORS - NASH047 Diagnosis:Cirrhosis GENDER=M; BMI=-; ETHNICITY=White; AGE=60; AST=51; ALT=24; ALKP=57; TBIL=11.3; GLUCOSE=241 SUBJECT_SAMPLE_FACTORS - NASH048 Diagnosis:Cirrhosis GENDER=M; BMI=26; ETHNICITY=White; AGE=66; AST=44; ALT=23; ALKP=100; TBIL=4.5; GLUCOSE=79 SUBJECT_SAMPLE_FACTORS - NASH049 Diagnosis:Cirrhosis GENDER=M; BMI=35; ETHNICITY=White; AGE=71; AST=42; ALT=21; ALKP=82; TBIL=3.8; GLUCOSE=145 SUBJECT_SAMPLE_FACTORS - NASH052 Diagnosis:Cirrhosis GENDER=M; BMI=-; ETHNICITY=-; AGE=63; AST=-; ALT=-; ALKP=-; TBIL=-; GLUCOSE=- SUBJECT_SAMPLE_FACTORS - NASH055 Diagnosis:Cirrhosis GENDER=M; BMI=36.8; ETHNICITY=White; AGE=67; AST=35; ALT=24; ALKP=91; TBIL=0.9; GLUCOSE=135 SUBJECT_SAMPLE_FACTORS - NASH064 Diagnosis:Cirrhosis GENDER=F; BMI=27.9; ETHNICITY=White; AGE=67; AST=67; ALT=31; ALKP=113; TBIL=5.5; GLUCOSE=82 SUBJECT_SAMPLE_FACTORS - NASH065 Diagnosis:Cirrhosis GENDER=M; BMI=41.9; ETHNICITY=White; AGE=36; AST=32; ALT=17; ALKP=44; TBIL=0.2; GLUCOSE=91 SUBJECT_SAMPLE_FACTORS - NASH068 Diagnosis:Cirrhosis GENDER=M; BMI=23; ETHNICITY=White; AGE=55; AST=46; ALT=21; ALKP=67; TBIL=1.4; GLUCOSE=96 SUBJECT_SAMPLE_FACTORS - NASH069 Diagnosis:Cirrhosis GENDER=M; BMI=29.9; ETHNICITY=White; AGE=56; AST=74; ALT=57; ALKP=258; TBIL=3.1; GLUCOSE=84 SUBJECT_SAMPLE_FACTORS - NASH010 Diagnosis:NASH GENDER=F; BMI=43.3; ETHNICITY=White; AGE=46; AST=33; ALT=35; ALKP=71; TBIL=0.4; GLUCOSE=175 SUBJECT_SAMPLE_FACTORS - NASH012 Diagnosis:NASH GENDER=F; BMI=49; ETHNICITY=White; AGE=38; AST=-; ALT=-; ALKP=-; TBIL=-; GLUCOSE=89 SUBJECT_SAMPLE_FACTORS - NASH015 Diagnosis:NASH GENDER=M; BMI=44; ETHNICITY=White; AGE=58; AST=27; ALT=39; ALKP=41; TBIL=0.2; GLUCOSE=125 SUBJECT_SAMPLE_FACTORS - NASH018 Diagnosis:NASH GENDER=F; BMI=51; ETHNICITY=Black; AGE=44; AST=-; ALT=-; ALKP=-; TBIL=-; GLUCOSE=96 SUBJECT_SAMPLE_FACTORS - NASH019 Diagnosis:NASH GENDER=M; BMI=34; ETHNICITY=White; AGE=73; AST=-; ALT=-; ALKP=-; TBIL=-; GLUCOSE=107 SUBJECT_SAMPLE_FACTORS - NASH021 Diagnosis:NASH GENDER=M; BMI=28; ETHNICITY=White; AGE=59; AST=30; ALT=39; ALKP=63; TBIL=0.9; GLUCOSE=185 SUBJECT_SAMPLE_FACTORS - NASH030 Diagnosis:NASH GENDER=F; BMI=41.6; ETHNICITY=White; AGE=28; AST=24; ALT=24; ALKP=77; TBIL=0.1; GLUCOSE=89 SUBJECT_SAMPLE_FACTORS - NASH031 Diagnosis:NASH GENDER=F; BMI=41.5; ETHNICITY=White; AGE=46; AST=17; ALT=23; ALKP=94; TBIL=0.2; GLUCOSE=135 SUBJECT_SAMPLE_FACTORS - NASH035 Diagnosis:NASH GENDER=M; BMI=74.7; ETHNICITY=White; AGE=45; AST=23; ALT=30; ALKP=72; TBIL=0.3; GLUCOSE=84 SUBJECT_SAMPLE_FACTORS - NASH037 Diagnosis:NASH GENDER=M; BMI=44; ETHNICITY=White; AGE=53; AST=52; ALT=83; ALKP=98; TBIL=0.3; GLUCOSE=165 SUBJECT_SAMPLE_FACTORS - NASH038 Diagnosis:NASH GENDER=M; BMI=45; ETHNICITY=White; AGE=65; AST=36; ALT=37; ALKP=67; TBIL=0.3; GLUCOSE=97 SUBJECT_SAMPLE_FACTORS - NASH039 Diagnosis:NASH GENDER=M; BMI=48; ETHNICITY=White; AGE=35; AST=-; ALT=-; ALKP=-; TBIL=-; GLUCOSE=- SUBJECT_SAMPLE_FACTORS - NASH044 Diagnosis:NASH GENDER=M; BMI=61; ETHNICITY=Black; AGE=41; AST=22; ALT=24; ALKP=57; TBIL=0.6; GLUCOSE=89 SUBJECT_SAMPLE_FACTORS - NASH057 Diagnosis:NASH GENDER=F; BMI=47.3; ETHNICITY=White; AGE=53; AST=25; ALT=18; ALKP=71; TBIL=0.6; GLUCOSE=99 SUBJECT_SAMPLE_FACTORS - NASH072 Diagnosis:NASH GENDER=M; BMI=77.3; ETHNICITY=White; AGE=50; AST=29; ALT=12; ALKP=85; TBIL=0.8; GLUCOSE=207 SUBJECT_SAMPLE_FACTORS - NASH074 Diagnosis:NASH GENDER=F; BMI=31; ETHNICITY=White; AGE=52; AST=-; ALT=-; ALKP=-; TBIL=-; GLUCOSE=169 SUBJECT_SAMPLE_FACTORS - NASH084 Diagnosis:NASH GENDER=F; BMI=63; ETHNICITY=White; AGE=48; AST=-; ALT=-; ALKP=-; TBIL=-; GLUCOSE=120 SUBJECT_SAMPLE_FACTORS - NASH087 Diagnosis:NASH GENDER=F; BMI=52; ETHNICITY=Black; AGE=58; AST=-; ALT=-; ALKP=-; TBIL=-; GLUCOSE=175 SUBJECT_SAMPLE_FACTORS - NASH088 Diagnosis:NASH GENDER=F; BMI=40; ETHNICITY=Black; AGE=27; AST=15; ALT=19; ALKP=134; TBIL=0.4; GLUCOSE=133 SUBJECT_SAMPLE_FACTORS - NASH090 Diagnosis:NASH GENDER=F; BMI=35; ETHNICITY=White; AGE=32; AST=15; ALT=20; ALKP=69; TBIL=-; GLUCOSE=110 SUBJECT_SAMPLE_FACTORS - NASH003 Diagnosis:Normal GENDER=F; BMI=47.3; ETHNICITY=White; AGE=46; AST=36; ALT=54; ALKP=76; TBIL=-; GLUCOSE=90 SUBJECT_SAMPLE_FACTORS - NASH004 Diagnosis:Normal GENDER=M; BMI=-; ETHNICITY=White; AGE=23; AST=106; ALT=95; ALKP=-; TBIL=0.7; GLUCOSE=97 SUBJECT_SAMPLE_FACTORS - NASH006 Diagnosis:Normal GENDER=F; BMI=-; ETHNICITY=White; AGE=40; AST=68; ALT=72; ALKP=74; TBIL=0.5; GLUCOSE=93 SUBJECT_SAMPLE_FACTORS - NASH011 Diagnosis:Normal GENDER=M; BMI=29.1; ETHNICITY=White; AGE=54; AST=40; ALT=22; ALKP=42; TBIL=0.9; GLUCOSE=101 SUBJECT_SAMPLE_FACTORS - NASH014 Diagnosis:Normal GENDER=F; BMI=36; ETHNICITY=Black; AGE=63; AST=-; ALT=-; ALKP=-; TBIL=-; GLUCOSE=139 SUBJECT_SAMPLE_FACTORS - NASH017 Diagnosis:Normal GENDER=M; BMI=45; ETHNICITY=White; AGE=59; AST=-; ALT=-; ALKP=-; TBIL=-; GLUCOSE=101 SUBJECT_SAMPLE_FACTORS - NASH020 Diagnosis:Normal GENDER=M; BMI=29; ETHNICITY=White; AGE=33; AST=-; ALT=-; ALKP=-; TBIL=-; GLUCOSE=91 SUBJECT_SAMPLE_FACTORS - NASH024 Diagnosis:Normal GENDER=F; BMI=35; ETHNICITY=Black; AGE=43; AST=20; ALT=13; ALKP=71; TBIL=0.9; GLUCOSE=95 SUBJECT_SAMPLE_FACTORS - NASH034 Diagnosis:Normal GENDER=F; BMI=51.5; ETHNICITY=White; AGE=49; AST=-; ALT=-; ALKP=-; TBIL=-; GLUCOSE=172 SUBJECT_SAMPLE_FACTORS - NASH036 Diagnosis:Normal GENDER=F; BMI=39; ETHNICITY=Black; AGE=45; AST=21; ALT=23; ALKP=111; TBIL=0.2; GLUCOSE=99 SUBJECT_SAMPLE_FACTORS - NASH041 Diagnosis:Normal GENDER=F; BMI=63; ETHNICITY=Black; AGE=27; AST=21; ALT=19; ALKP=86; TBIL=0.3; GLUCOSE=106 SUBJECT_SAMPLE_FACTORS - NASH042 Diagnosis:Normal GENDER=F; BMI=42; ETHNICITY=White; AGE=58; AST=18; ALT=16; ALKP=98; TBIL=0.4; GLUCOSE=105 SUBJECT_SAMPLE_FACTORS - NASH043 Diagnosis:Normal GENDER=F; BMI=52; ETHNICITY=White; AGE=39; AST=13; ALT=12; ALKP=76; TBIL=0.3; GLUCOSE=104 SUBJECT_SAMPLE_FACTORS - NASH045 Diagnosis:Normal GENDER=F; BMI=48; ETHNICITY=Black; AGE=43; AST=13; ALT=15; ALKP=90; TBIL=0.3; GLUCOSE=104 SUBJECT_SAMPLE_FACTORS - NASH046 Diagnosis:Normal GENDER=F; BMI=40; ETHNICITY=White; AGE=36; AST=-; ALT=-; ALKP=-; TBIL=-; GLUCOSE=104 SUBJECT_SAMPLE_FACTORS - NASH050 Diagnosis:Normal GENDER=F; BMI=52.5; ETHNICITY=Black; AGE=38; AST=15; ALT=12; ALKP=75; TBIL=0.1; GLUCOSE=96 SUBJECT_SAMPLE_FACTORS - NASH051 Diagnosis:Normal GENDER=F; BMI=50.6; ETHNICITY=White; AGE=29; AST=-; ALT=-; ALKP=-; TBIL=-; GLUCOSE=99 SUBJECT_SAMPLE_FACTORS - NASH053 Diagnosis:Normal GENDER=F; BMI=25.1; ETHNICITY=White; AGE=56; AST=26; ALT=14; ALKP=180; TBIL=0.8; GLUCOSE=140 SUBJECT_SAMPLE_FACTORS - NASH054 Diagnosis:Normal GENDER=F; BMI=30.8; ETHNICITY=White; AGE=83; AST=-; ALT=-; ALKP=-; TBIL=-; GLUCOSE=90 SUBJECT_SAMPLE_FACTORS - NASH060 Diagnosis:Normal GENDER=F; BMI=39.7; ETHNICITY=Black; AGE=36; AST=-; ALT=-; ALKP=-; TBIL=-; GLUCOSE=115 SUBJECT_SAMPLE_FACTORS - NASH066 Diagnosis:Normal GENDER=F; BMI=40.3; ETHNICITY=Black; AGE=52; AST=-; ALT=-; ALKP=-; TBIL=-; GLUCOSE=95 SUBJECT_SAMPLE_FACTORS - NASH067 Diagnosis:Normal GENDER=F; BMI=39.2; ETHNICITY=Black; AGE=33; AST=17; ALT=14; ALKP=73; TBIL=0.2; GLUCOSE=87 SUBJECT_SAMPLE_FACTORS - NASH070 Diagnosis:Normal GENDER=F; BMI=25.7; ETHNICITY=White; AGE=53; AST=-; ALT=-; ALKP=-; TBIL=-; GLUCOSE=- SUBJECT_SAMPLE_FACTORS - NASH077 Diagnosis:Normal GENDER=M; BMI=33; ETHNICITY=White; AGE=67; AST=-; ALT=-; ALKP=-; TBIL=-; GLUCOSE=193 SUBJECT_SAMPLE_FACTORS - NASH078 Diagnosis:Normal GENDER=F; BMI=45; ETHNICITY=Black; AGE=40; AST=-; ALT=-; ALKP=-; TBIL=-; GLUCOSE=101 SUBJECT_SAMPLE_FACTORS - NASH080 Diagnosis:Normal GENDER=F; BMI=50; ETHNICITY=White; AGE=57; AST=26; ALT=28; ALKP=54; TBIL=0.3; GLUCOSE=155 SUBJECT_SAMPLE_FACTORS - NASH082 Diagnosis:Normal GENDER=M; BMI=34; ETHNICITY=White; AGE=73; AST=-; ALT=-; ALKP=-; TBIL=-; GLUCOSE=- SUBJECT_SAMPLE_FACTORS - NASH085 Diagnosis:Normal GENDER=F; BMI=32; ETHNICITY=White; AGE=63; AST=-; ALT=-; ALKP=-; TBIL=-; GLUCOSE=- SUBJECT_SAMPLE_FACTORS - NASH086 Diagnosis:Normal GENDER=F; BMI=38; ETHNICITY=White; AGE=35; AST=-; ALT=-; ALKP=-; TBIL=-; GLUCOSE=99 SUBJECT_SAMPLE_FACTORS - NASH089 Diagnosis:Normal GENDER=F; BMI=52; ETHNICITY=White; AGE=49; AST=-; ALT=-; ALKP=-; TBIL=-; GLUCOSE=- SUBJECT_SAMPLE_FACTORS - NASH091 Diagnosis:Normal GENDER=F; BMI=29; ETHNICITY=White; AGE=68; AST=14; ALT=18; ALKP=66; TBIL=0.4; GLUCOSE=107 SUBJECT_SAMPLE_FACTORS - NASH001 Diagnosis:Steatosis GENDER=M; BMI=52.3; ETHNICITY=Black; AGE=37; AST=16; ALT=19; ALKP=58; TBIL=0.4; GLUCOSE=236 SUBJECT_SAMPLE_FACTORS - NASH002 Diagnosis:Steatosis GENDER=F; BMI=34.9; ETHNICITY=White; AGE=57; AST=-; ALT=-; ALKP=-; TBIL=-; GLUCOSE=91 SUBJECT_SAMPLE_FACTORS - NASH023 Diagnosis:Steatosis GENDER=M; BMI=34; ETHNICITY=White; AGE=56; AST=-; ALT=-; ALKP=-; TBIL=-; GLUCOSE=97 SUBJECT_SAMPLE_FACTORS - NASH032 Diagnosis:Steatosis GENDER=F; BMI=45; ETHNICITY=White; AGE=58; AST=27; ALT=20; ALKP=83; TBIL=0.9; GLUCOSE=89 SUBJECT_SAMPLE_FACTORS - NASH033 Diagnosis:Steatosis GENDER=F; BMI=40; ETHNICITY=White; AGE=58; AST=38; ALT=29; ALKP=102; TBIL=0.5; GLUCOSE=109 SUBJECT_SAMPLE_FACTORS - NASH056 Diagnosis:Steatosis GENDER=F; BMI=45.1; ETHNICITY=White; AGE=51; AST=38; ALT=28; ALKP=45; TBIL=0.5; GLUCOSE=99 SUBJECT_SAMPLE_FACTORS - NASH058 Diagnosis:Steatosis GENDER=M; BMI=42.7; ETHNICITY=Black; AGE=53; AST=28; ALT=34; ALKP=72; TBIL=0.6; GLUCOSE=174 SUBJECT_SAMPLE_FACTORS - NASH059 Diagnosis:Steatosis GENDER=F; BMI=49.8; ETHNICITY=White; AGE=45; AST=16; ALT=16; ALKP=84; TBIL=0.3; GLUCOSE=92 SUBJECT_SAMPLE_FACTORS - NASH061 Diagnosis:Steatosis GENDER=F; BMI=56.7; ETHNICITY=White; AGE=29; AST=64; ALT=50; ALKP=68; TBIL=0.8; GLUCOSE=91 SUBJECT_SAMPLE_FACTORS - NASH062 Diagnosis:Steatosis GENDER=F; BMI=56.6; ETHNICITY=White; AGE=51; AST=15; ALT=16; ALKP=58; TBIL=0.5; GLUCOSE=90 SUBJECT_SAMPLE_FACTORS - NASH071 Diagnosis:Steatosis GENDER=F; BMI=40; ETHNICITY=White; AGE=33; AST=15; ALT=12; ALKP=59; TBIL=0.4; GLUCOSE=85 SUBJECT_SAMPLE_FACTORS - NASH073 Diagnosis:Steatosis GENDER=F; BMI=80.2; ETHNICITY=Black; AGE=34; AST=11; ALT=11; ALKP=90; TBIL=0.4; GLUCOSE=163 SUBJECT_SAMPLE_FACTORS - NASH075 Diagnosis:Steatosis GENDER=M; BMI=33; ETHNICITY=White; AGE=67; AST=22; ALT=34; ALKP=96; TBIL=0.5; GLUCOSE=191 SUBJECT_SAMPLE_FACTORS - NASH076 Diagnosis:Steatosis GENDER=F; BMI=50; ETHNICITY=White; AGE=51; AST=-; ALT=-; ALKP=-; TBIL=-; GLUCOSE=92 SUBJECT_SAMPLE_FACTORS - NASH079 Diagnosis:Steatosis GENDER=F; BMI=43; ETHNICITY=White; AGE=37; AST=-; ALT=-; ALKP=-; TBIL=-; GLUCOSE=85 SUBJECT_SAMPLE_FACTORS - NASH081 Diagnosis:Steatosis GENDER=F; BMI=46; ETHNICITY=White; AGE=65; AST=-; ALT=-; ALKP=-; TBIL=-; GLUCOSE=119 SUBJECT_SAMPLE_FACTORS - NASH083 Diagnosis:Steatosis GENDER=M; BMI=39; ETHNICITY=White; AGE=41; AST=-; ALT=-; ALKP=-; TBIL=-; GLUCOSE=106 #COLLECTION CO:COLLECTION_SUMMARY Human samples were collected according to a protocol approved by Vanderbilt CO:COLLECTION_SUMMARY University Medical Center's Internal Review Board (#120829) and under informed CO:COLLECTION_SUMMARY written patients' consent prior to inclusion in this study. Sample sizes were CO:COLLECTION_SUMMARY selected to minimize the invasive procedures. Plasma samples were obtained from CO:COLLECTION_SUMMARY patients' blood collected during standard of care surgical procedures. Urine CO:COLLECTION_SUMMARY samples were collected from patients' Foley catheters placed for standard of CO:COLLECTION_SUMMARY care procedure. Liver samples were obtained from the excess tissue collected as CO:COLLECTION_SUMMARY part of the standard of care liver biopsies performed at the time of surgery CO:COLLECTION_SUMMARY that would otherwise be discarded. Subsequently, studies at University of CO:COLLECTION_SUMMARY California, San Diego were conducted under further auspices of University of CO:COLLECTION_SUMMARY California, San Diego Internal Review Board #121220. CO:SAMPLE_TYPE Plasma #TREATMENT TR:TREATMENT_SUMMARY - #SAMPLEPREP SP:SAMPLEPREP_SUMMARY Plasma sample extraction. One hundred microliters of thawed plasma containing 4 SP:SAMPLEPREP_SUMMARY µl of internal standard mix were extracted with 500 µl cold (-20°C) 70% CH3OH SP:SAMPLEPREP_SUMMARY by incubation in an ice bath for 30 min. After mixing by vortex at 4°C for 1 SP:SAMPLEPREP_SUMMARY min and centrifugation (4°C, 18,000 g, 10 min), the solvent was evaporated from SP:SAMPLEPREP_SUMMARY the supernatant. The residue was dissolved in 200 µl of resuspension solvent, SP:SAMPLEPREP_SUMMARY vortexed to mix (1 min at 4°C), and centrifuged (4°C, 18,000 g, 10 min) to SP:SAMPLEPREP_SUMMARY remove any insoluble material. GPLs: GPLs from liver samples were extracted and SP:SAMPLEPREP_SUMMARY analyzed by MS essentially as described in (20, 21). Extraction and analysis of SP:SAMPLEPREP_SUMMARY plasma samples was according to previously published procedures (22). SP:SAMPLEPREP_SUMMARY Cardiolipin, coenzyme Q, and dolichol: Lipid extractions were performed based on SP:SAMPLEPREP_SUMMARY the Bligh and Dyer method with minor modifications (23-25). FAs and eicosanoids: SP:SAMPLEPREP_SUMMARY FFAs were extracted essentially as previously described after supplementation SP:SAMPLEPREP_SUMMARY with deuterated internal standards (Cayman Chemicals) (26, 27). Eicosanoids were SP:SAMPLEPREP_SUMMARY isolated via solid phase extraction, utilizing 25 deuterated internal standards SP:SAMPLEPREP_SUMMARY (28, 29). Sterols and oxysterols: Sterols and oxysterols were extracted using SP:SAMPLEPREP_SUMMARY previously described methods (30). Neutral lipids: Cholesteryl esters (CEs), SP:SAMPLEPREP_SUMMARY TAGs, and DAGs were extracted from weighed liver tissue (0.5-1 mg) suspended in SP:SAMPLEPREP_SUMMARY 0.5 ml PBS that had been homogenized by sonication. Extractions of plasma (0.05 SP:SAMPLEPREP_SUMMARY ml diluted to 0.1 ml with PBS), urine (1 ml), and tissue sonicates were carried SP:SAMPLEPREP_SUMMARY out using 1 ml hexane:methyl t-butyl ether (1:1, v/v), essentially as previously SP:SAMPLEPREP_SUMMARY described (31). Sphingolipids: Sphingolipids from liver, plasma, and urine were SP:SAMPLEPREP_SUMMARY extracted following previously published procedures (32, 33), with the exception SP:SAMPLEPREP_SUMMARY that methylene chloride was substituted for chloroform for the single-phase SP:SAMPLEPREP_SUMMARY extraction of sphingoid bases. 20. Ivanova P. T., Milne S. B., Byrne M. O., SP:SAMPLEPREP_SUMMARY Xiang Y., Brown H. A. 2007. Glycerophospholipid identification and quantitation SP:SAMPLEPREP_SUMMARY by electrospray ionization mass spectrometry. Methods Enzymol. 432: 21-57. 21. SP:SAMPLEPREP_SUMMARY Myers D. S., Ivanova P. T., Milne S. B., Brown H. A. 2011. Quantitative analysis SP:SAMPLEPREP_SUMMARY of glycerophospholipids by LC-MS: acquisition, data handling, and SP:SAMPLEPREP_SUMMARY interpretation. Biochim. Biophys. Acta. 1811: 748-757. 22. Quehenberger O., SP:SAMPLEPREP_SUMMARY Armando A. M., Brown H. A., Milne S. B., Myers D. S., Merrill A. H., Jr, SP:SAMPLEPREP_SUMMARY Bandyopadhyay S., Jones K. N., Kelly S., Shaner R. L., et al. 2010. Lipidomics SP:SAMPLEPREP_SUMMARY reveals a remarkable diversity of lipids in human plasma. J. Lipid Res. 51: SP:SAMPLEPREP_SUMMARY 3299-3305. 23. Guan Z., Li S., Smith D., Shaw W., Raetz C. 2007. Identification SP:SAMPLEPREP_SUMMARY of N-acylphosphatidylserine molecules in eukaryotic cells. Biochemistry. 46: SP:SAMPLEPREP_SUMMARY 14500-14513. 24. Tan B. K., Bogdanov M., Zhao J., Dowhan W., Raetz C. R., Guan SP:SAMPLEPREP_SUMMARY Z. 2012. Discovery of cardiolipin synthase utilizing phosphatidylethanolamine SP:SAMPLEPREP_SUMMARY and phosphatidylglycerol as substrates. Proc. Natl. Acad. Sci. USA. 109: SP:SAMPLEPREP_SUMMARY 16504-16509. 25. Wen R., Lam B., Guan Z. 2013. Aberrant dolichol chain lengths SP:SAMPLEPREP_SUMMARY as biomarkers for retinitis pigmentosa caused by impaired dolichol biosynthesis. SP:SAMPLEPREP_SUMMARY J. Lipid Res. 54: 3516-3522. 26. Quehenberger O., Armando A., Dumlao D., SP:SAMPLEPREP_SUMMARY Stephens D. L., Dennis E. A. 2008. Lipidomics analysis of essential fatty acids SP:SAMPLEPREP_SUMMARY in macrophages. Prostaglandins Leukot. Essent. Fatty Acids. 79: 123-129. 27. SP:SAMPLEPREP_SUMMARY Quehenberger O., Armando A. M., Dennis E. A. 2011. High sensitivity quantitative SP:SAMPLEPREP_SUMMARY lipidomics analysis of fatty acids in biological samples by gas SP:SAMPLEPREP_SUMMARY chromatography-mass spectrometry. Biochim. Biophys. Acta. 1811: 648-656. 28. SP:SAMPLEPREP_SUMMARY Deems R., Buczynski M. W., Bowers-Gentry R., Harkewicz R., Dennis E. A. 2007. SP:SAMPLEPREP_SUMMARY Detection and quantitation of eicosanoids via high performance liquid SP:SAMPLEPREP_SUMMARY chromatography-electrospray ionization-mass spectrometry. Methods Enzymol. 432: SP:SAMPLEPREP_SUMMARY 59-82. 29. Dumlao D. S., Buczynski M. W., Norris P. C., Harkewicz R., Dennis E. SP:SAMPLEPREP_SUMMARY A. 2011. High-throughput lipidomic analysis of fatty acid derived eicosanoids SP:SAMPLEPREP_SUMMARY and N-acylethanolamines. Biochim. Biophys. Acta. 1811: 724-736. 30. McDonald J. SP:SAMPLEPREP_SUMMARY G., Smith D. D., Stiles A. R., Russell D. W. 2012. A comprehensive method for SP:SAMPLEPREP_SUMMARY extraction and quantitative analysis of sterols and secosteroids from human SP:SAMPLEPREP_SUMMARY plasma. J. Lipid Res. 53: 1399-1409. 31. Hutchins P. M., Barkley R. M., Murphy SP:SAMPLEPREP_SUMMARY R. C. 2008. Separation of cellular nonpolar neutral lipids by normal-phase SP:SAMPLEPREP_SUMMARY chromatography and analysis by electrospray ionization mass spectrometry. J. SP:SAMPLEPREP_SUMMARY Lipid Res. 49: 804-813. 32. Shaner R. L., Allegood J. C., Park H., Wang E., SP:SAMPLEPREP_SUMMARY Kelly S., Haynes C. A., Sullards M. C., Merrill A. H., Jr 2009. Quantitative SP:SAMPLEPREP_SUMMARY analysis of sphingolipids for lipidomics using triple quadrupole and quadrupole SP:SAMPLEPREP_SUMMARY linear ion trap mass spectrometers. J. Lipid Res. 50: 1692-1707. 33. Sullards SP:SAMPLEPREP_SUMMARY M. C., Liu Y., Chen Y., Merrill A. H., Jr 2011. Analysis of mammalian SP:SAMPLEPREP_SUMMARY sphingolipids by liquid chromatography tandem mass spectrometry (LC-MS/MS) and SP:SAMPLEPREP_SUMMARY tissue imaging mass spectrometry (TIMS). Biochim. Biophys. Acta. 1811: 838-853. #CHROMATOGRAPHY CH:CHROMATOGRAPHY_SUMMARY Sterols and oxysterols were measured using methods previously described (30). CH:CHROMATOGRAPHY_SUMMARY Plasma total cholesterol was measured using a Vitros 250 chemistry system CH:CHROMATOGRAPHY_SUMMARY (Ortho-Clinical Diagnostics, Rochester, NY). Plasma free cholesterol and liver CH:CHROMATOGRAPHY_SUMMARY free and total cholesterol were measured using methods adapted from (30). 30. CH:CHROMATOGRAPHY_SUMMARY McDonald J. G., Smith D. D., Stiles A. R., Russell D. W. 2012. A comprehensive CH:CHROMATOGRAPHY_SUMMARY method for extraction and quantitative analysis of sterols and secosteroids from CH:CHROMATOGRAPHY_SUMMARY human plasma. J. Lipid Res. 53: 1399-1409. CH:INSTRUMENT_NAME Multiple CH:COLUMN_NAME Multiple CH:CHROMATOGRAPHY_TYPE Core J #ANALYSIS AN:ANALYSIS_TYPE MS #MS MS:MS_COMMENTS - MS:INSTRUMENT_NAME - MS:INSTRUMENT_TYPE - MS:MS_TYPE Other MS:ION_MODE UNSPECIFIED #MS_METABOLITE_DATA MS_METABOLITE_DATA:UNITS nmol/ml MS_METABOLITE_DATA_START Samples NASH001 NASH002 NASH003 NASH004 NASH005 NASH006 NASH007 NASH009 NASH010 NASH011 NASH012 NASH013 NASH014 NASH015 NASH016 NASH017 NASH018 NASH019 NASH020 NASH021 NASH022 NASH023 NASH024 NASH026 NASH027 NASH028 NASH029 NASH030 NASH031 NASH032 NASH033 NASH034 NASH035 NASH036 NASH037 NASH038 NASH039 NASH040 NASH041 NASH042 NASH043 NASH044 NASH045 NASH046 NASH047 NASH048 NASH049 NASH050 NASH051 NASH052 NASH053 NASH054 NASH055 NASH056 NASH057 NASH058 NASH059 NASH060 NASH061 NASH062 NASH064 NASH065 NASH066 NASH067 NASH068 NASH069 NASH070 NASH071 NASH072 NASH073 NASH074 NASH075 NASH076 NASH077 NASH078 NASH079 NASH080 NASH081 NASH082 NASH083 NASH084 NASH085 NASH086 NASH087 NASH088 NASH089 NASH090 NASH091 Factors Diagnosis:Steatosis Diagnosis:Steatosis Diagnosis:Normal Diagnosis:Normal Diagnosis:Cirrhosis Diagnosis:Normal Diagnosis:Cirrhosis Diagnosis:Cirrhosis Diagnosis:NASH Diagnosis:Normal Diagnosis:NASH Diagnosis:Cirrhosis Diagnosis:Normal Diagnosis:NASH Diagnosis:Cirrhosis Diagnosis:Normal Diagnosis:NASH Diagnosis:NASH Diagnosis:Normal Diagnosis:NASH Diagnosis:Cirrhosis Diagnosis:Steatosis Diagnosis:Normal Diagnosis:Cirrhosis Diagnosis:Cirrhosis Diagnosis:Cirrhosis Diagnosis:Cirrhosis Diagnosis:NASH Diagnosis:NASH Diagnosis:Steatosis Diagnosis:Steatosis Diagnosis:Normal Diagnosis:NASH Diagnosis:Normal Diagnosis:NASH Diagnosis:NASH Diagnosis:NASH Diagnosis:Cirrhosis Diagnosis:Normal Diagnosis:Normal Diagnosis:Normal Diagnosis:NASH Diagnosis:Normal Diagnosis:Normal Diagnosis:Cirrhosis Diagnosis:Cirrhosis Diagnosis:Cirrhosis Diagnosis:Normal Diagnosis:Normal Diagnosis:Cirrhosis Diagnosis:Normal Diagnosis:Normal Diagnosis:Cirrhosis Diagnosis:Steatosis Diagnosis:NASH Diagnosis:Steatosis Diagnosis:Steatosis Diagnosis:Normal Diagnosis:Steatosis Diagnosis:Steatosis Diagnosis:Cirrhosis Diagnosis:Cirrhosis Diagnosis:Normal Diagnosis:Normal Diagnosis:Cirrhosis Diagnosis:Cirrhosis Diagnosis:Normal Diagnosis:Steatosis Diagnosis:NASH Diagnosis:Steatosis Diagnosis:NASH Diagnosis:Steatosis Diagnosis:Steatosis Diagnosis:Normal Diagnosis:Normal Diagnosis:Steatosis Diagnosis:Normal Diagnosis:Steatosis Diagnosis:Normal Diagnosis:Steatosis Diagnosis:NASH Diagnosis:Normal Diagnosis:Normal Diagnosis:NASH Diagnosis:NASH Diagnosis:Normal Diagnosis:NASH Diagnosis:Normal 7alpha,25-dihydroxycholesterol 0.009 0.013 NA 0.006 0.005 NA 0.011 NA 0.009 0.007 0.009 0.005 0.011 0.005 0.005 0.006 0.004 NA NA NA NA NA NA NA NA NA NA NA 0.004 0.003 0.005 0.002 0.005 0.005 0.011 0.005 0.083 NA 0.003 0.012 0.014 0.012 0.007 0.012 0.016 NA 0.085 0.007 0.007 0.005 0.011 0.009 0.009 0.008 0.007 0.006 0.009 0.011 0.080 0.115 0.010 0.009 0.011 0.007 0.083 0.008 0.034 0.096 NA NA 0.097 0.015 0.127 0.012 0.008 0.009 0.071 0.007 0.005 0.003 0.005 0.004 0.003 0.006 0.008 0.004 0.005 0.002 7alpha,27-dihydroxy cholesterol 0.010 0.023 0.020 0.016 0.011 0.037 0.011 0.010 0.019 0.012 0.012 0.005 0.010 0.007 0.003 0.004 0.006 0.007 0.011 0.027 0.009 0.015 0.007 0.006 0.005 0.004 0.003 0.010 0.015 0.017 0.016 0.015 0.013 0.026 0.013 0.023 0.013 0.007 0.010 0.009 0.007 0.009 0.008 0.008 0.007 0.005 0.007 0.011 0.008 0.005 0.003 0.014 0.005 0.007 0.008 0.010 0.008 0.008 0.007 0.011 0.004 0.011 0.006 0.009 0.008 0.005 0.014 0.009 0.008 0.005 0.009 0.011 0.010 0.011 0.016 0.006 0.006 0.009 0.007 0.014 0.012 0.011 0.011 0.009 0.042 0.007 0.014 0.009 7alpha,24S-dihydroxycholesterol NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA 5alpha,6alpha-24S,25-diepoxy-cholesterol 0.023 0.003 0.003 0.001 0.004 0.002 0.006 0.009 0.002 0.001 0.006 0.005 0.005 0.007 0.005 0.007 0.003 NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA 25-hydroxy Vitamin D3 0.389 1.139 0.587 0.557 0.288 0.563 0.128 0.216 0.280 0.572 1.165 0.641 0.860 0.735 0.133 0.936 0.988 0.402 0.448 0.374 0.419 0.880 0.126 0.128 0.288 0.151 0.113 0.342 0.245 0.467 0.248 0.806 0.961 0.785 0.755 1.320 0.964 2.147 0.683 1.179 0.967 0.471 0.695 1.594 0.164 0.490 0.419 1.253 5.225 0.813 1.421 1.483 0.609 1.104 1.346 0.971 1.124 1.555 0.581 0.617 0.189 1.650 0.908 0.421 0.440 0.303 0.813 0.955 0.415 0.105 0.484 0.426 1.196 1.195 0.757 1.060 1.297 1.634 1.076 0.958 0.648 1.114 0.689 0.637 0.795 1.288 1.260 1.174 25-hydroxy Vitamin D2 0.113 0.068 0.078 NA 0.056 NA 0.095 NA 0.202 NA 0.005 0.007 0.033 0.011 0.029 0.071 0.047 NA NA 0.195 NA NA 0.313 0.028 0.014 NA NA 0.132 0.185 NA 0.475 0.209 0.048 NA 0.183 NA 0.078 NA 0.170 NA 0.104 0.179 0.318 0.022 NA NA 0.014 0.088 0.032 NA NA NA NA 0.066 0.070 NA NA NA NA 0.166 NA 0.005 NA 0.329 0.005 0.006 0.313 0.059 0.259 0.238 NA 0.921 0.025 NA 0.050 NA 0.052 0.012 0.016 0.012 0.204 0.020 0.260 0.141 0.016 0.009 0.008 0.008 22R-hydroxy-cholesterol 0.002 0.006 0.005 0.006 0.004 0.004 0.005 NA 0.004 0.002 0.002 0.004 0.004 0.001 0.003 0.001 0.002 0.002 0.005 0.005 0.006 0.004 0.005 0.002 0.003 0.001 0.002 0.003 0.022 0.027 0.014 0.019 0.026 0.032 0.024 0.026 0.020 0.025 0.033 0.001 0.004 0.001 0.003 0.001 0.004 0.003 0.002 0.002 0.002 0.002 0.003 0.005 0.007 0.002 0.002 0.001 0.004 0.005 0.003 0.003 0.006 0.002 0.002 0.003 0.005 0.003 0.003 0.003 0.001 0.001 0.002 0.003 0.003 0.003 0.003 0.001 0.002 0.003 0.003 0.002 0.002 0.002 0.003 0.001 0.006 0.002 0.003 0.002 25-hydroxy-cholesterol 0.021 0.019 0.017 0.021 0.014 0.035 0.013 0.016 0.021 0.024 0.025 0.010 0.026 0.015 0.010 0.023 0.025 0.002 0.017 0.025 0.098 0.021 0.024 0.020 0.010 0.013 0.008 0.019 0.022 0.027 0.014 0.019 0.026 0.032 0.024 0.026 0.020 0.025 0.033 0.016 0.014 0.019 0.018 0.023 0.013 0.011 0.013 0.017 0.019 0.010 0.016 0.033 0.017 0.018 0.012 0.015 0.022 0.019 0.019 0.014 0.007 0.015 0.021 0.023 0.020 0.012 0.019 0.013 0.021 0.010 0.026 0.016 0.012 0.020 0.022 0.013 0.020 0.017 0.012 0.029 0.033 0.021 0.032 0.021 0.056 0.023 0.022 0.020 24S-hydroxy-cholesterol 0.073 0.148 0.115 0.055 0.158 0.050 0.173 0.165 0.124 0.057 0.178 0.170 0.097 0.096 0.143 0.091 0.120 0.171 0.203 0.266 0.282 0.168 0.188 0.117 0.222 0.116 0.156 0.219 0.133 0.207 0.152 0.183 0.119 0.231 0.133 0.182 0.133 0.223 0.162 0.095 0.114 0.154 0.126 0.166 0.135 0.153 0.199 0.137 0.137 0.113 0.080 0.154 0.115 0.102 0.080 0.129 0.188 0.182 0.165 0.126 0.173 0.216 0.075 0.131 0.219 0.105 0.089 0.115 0.100 0.090 0.131 0.071 0.128 0.153 0.154 0.093 0.061 0.156 0.108 0.190 0.132 0.117 0.183 0.133 0.170 0.076 0.234 0.086 27-hydroxy-cholesterol 0.257 0.392 0.347 0.274 0.252 0.528 0.169 0.239 0.359 0.372 0.558 0.285 0.318 0.250 0.155 0.203 0.346 0.281 0.336 0.719 0.617 0.627 0.396 0.157 0.248 0.132 0.193 0.291 0.349 0.455 0.299 0.317 0.352 0.610 0.323 0.478 0.526 0.383 0.280 0.255 0.253 0.450 0.294 0.222 0.183 0.142 0.217 0.379 0.255 0.117 0.102 0.244 0.178 0.245 0.152 0.358 0.257 0.343 0.264 0.205 0.217 0.246 0.202 0.239 0.348 0.147 0.263 0.232 0.216 0.142 0.245 0.297 0.252 0.309 0.279 0.245 0.249 0.252 0.224 0.557 0.351 0.274 0.402 0.371 0.403 0.228 0.475 0.266 24-oxocholesterol 0.047 0.015 0.011 0.005 0.012 0.012 0.018 0.020 0.015 0.006 0.012 0.012 0.007 0.009 0.010 0.008 0.008 0.030 0.020 0.031 0.025 0.020 0.018 0.018 0.020 0.019 0.022 0.024 0.010 0.014 0.010 0.016 0.010 0.015 0.011 0.012 0.010 0.015 0.009 0.009 0.008 0.015 0.009 0.015 0.008 0.011 0.011 0.010 0.010 0.010 0.007 0.011 0.009 0.011 0.009 0.015 0.016 0.011 0.011 0.010 0.009 0.019 0.011 0.009 0.013 0.007 0.012 0.013 0.010 0.010 0.020 0.010 0.009 0.014 0.011 0.015 0.008 0.017 0.008 0.012 0.009 0.008 0.013 0.009 0.015 0.008 0.012 0.009 24,25-epoxy-cholesterol 0.003 0.002 0.001 0.001 0.001 0.006 0.001 0.001 0.004 0.002 0.002 0.001 0.001 0.004 NA 0.003 0.002 0.009 0.004 0.006 0.001 0.005 0.003 0.002 0.004 0.003 0.005 0.003 0.004 0.003 0.004 0.005 0.004 0.004 0.007 0.006 0.003 0.003 0.002 0.002 0.002 0.005 0.002 0.004 0.002 0.001 0.002 0.001 0.002 0.001 0.002 0.005 0.002 0.002 0.009 0.001 0.002 0.002 0.003 0.001 0.001 0.004 0.001 0.001 0.001 0.004 0.003 0.003 0.003 0.008 0.007 0.003 0.004 0.003 0.003 0.003 0.008 0.006 0.003 0.003 0.005 0.002 0.007 0.001 0.008 0.002 0.003 0.003 3beta,5alpha,6beta-trihydroxycholestanol NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA 20-hydroxycholesterol NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA 7alpha-hydroxy-cholesterol 0.106 0.126 0.158 0.042 0.066 0.106 0.057 0.053 0.243 0.056 0.131 0.046 0.090 0.196 0.041 0.067 0.148 0.200 0.226 0.446 0.060 1.176 0.094 0.076 0.048 0.035 0.039 0.246 0.122 0.606 0.211 0.313 0.231 0.251 0.521 0.420 0.160 0.128 0.176 0.144 0.210 0.288 0.215 0.428 0.127 0.136 0.098 0.243 0.195 0.070 0.148 0.284 0.154 0.143 0.300 0.120 0.236 0.116 0.208 0.247 0.049 0.195 0.104 0.160 0.128 0.101 0.138 0.163 0.263 0.190 0.156 0.182 0.323 0.142 0.407 0.225 0.128 0.300 0.223 0.589 0.764 0.378 0.587 0.303 1.827 0.532 0.432 0.666 7-oxo-cholesterol 0.064 0.085 0.078 0.066 0.052 0.127 0.079 0.066 0.151 0.036 0.140 0.110 0.087 0.117 0.055 0.100 0.049 0.247 0.194 0.382 0.154 0.185 0.152 0.155 0.204 0.127 0.199 0.185 0.096 0.261 0.132 0.095 0.106 0.344 0.338 0.098 0.098 0.064 0.105 0.111 0.173 0.249 0.182 0.266 0.125 0.179 0.124 0.264 0.218 0.075 0.275 0.158 0.308 0.114 0.262 0.270 0.157 0.197 0.184 0.199 0.116 0.162 0.111 0.202 0.267 0.170 0.138 0.181 0.132 0.182 0.107 0.215 0.195 0.163 0.204 0.145 0.099 0.233 0.126 0.442 0.631 0.353 0.319 0.314 5.256 0.364 0.306 0.691 19-hydroxycholesterol NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA 6alpha-hydroxy-cholestanol 0.004 0.005 0.005 0.007 0.013 0.012 0.013 0.021 0.003 0.012 0.006 0.010 0.005 0.003 0.012 0.005 0.005 NA NA NA NA NA NA NA NA NA NA NA 0.005 0.011 0.005 0.007 0.007 0.009 0.014 0.005 0.008 0.007 0.009 0.003 0.003 0.003 0.003 0.004 0.010 0.012 0.006 0.003 0.002 0.009 0.008 0.005 0.004 0.005 0.005 0.003 0.007 0.004 0.005 0.002 0.010 0.005 0.007 0.004 0.010 0.009 0.004 0.003 0.003 0.004 0.002 0.001 0.002 0.003 0.004 0.002 0.002 0.002 0.005 0.010 0.006 0.004 0.004 0.004 0.009 0.007 0.004 0.007 5alpha-hydroxycholesterol 0.013 0.016 0.015 0.008 0.011 0.018 0.010 0.011 0.006 0.007 0.024 0.008 0.015 0.014 0.008 0.009 0.013 0.014 0.016 0.050 0.012 0.024 0.012 0.008 0.010 0.008 0.008 0.016 0.007 0.063 0.011 0.013 0.024 0.016 0.059 0.011 0.006 0.006 0.008 0.019 0.027 0.028 0.022 0.033 0.011 0.017 0.014 0.021 0.019 0.014 0.022 0.030 0.023 0.016 0.021 0.028 0.032 0.022 0.026 0.022 0.009 0.024 0.020 0.026 0.017 0.019 0.030 0.016 0.026 0.024 0.020 0.022 0.041 0.016 0.069 0.019 0.018 0.026 0.016 0.027 0.027 0.022 0.040 0.016 0.019 0.027 0.024 0.029 5,6beta-epoxy-cholesterol 0.066 0.087 0.063 0.047 0.050 0.085 0.050 0.054 0.100 0.033 0.108 0.049 0.082 0.066 0.048 0.074 0.065 0.102 0.127 0.219 0.101 0.135 0.109 0.070 0.072 0.065 0.066 0.130 0.087 0.189 0.150 0.145 0.119 0.084 0.221 0.070 0.088 0.072 0.090 0.092 0.066 0.069 0.091 0.112 0.048 0.072 0.064 0.104 0.081 0.068 0.086 0.111 0.096 0.083 0.077 0.119 0.119 0.075 0.075 0.104 0.051 0.080 0.085 0.088 0.070 0.056 0.127 0.076 0.077 0.081 0.098 0.089 0.155 0.078 0.141 0.069 0.052 0.098 0.089 0.161 0.174 0.132 0.225 0.115 0.324 0.169 0.139 0.143 5,6alpha-epoxy-cholesterol 0.028 0.043 0.031 0.026 0.027 0.035 0.024 0.028 0.033 0.013 0.070 0.028 0.048 0.044 0.030 0.050 0.043 0.078 0.092 0.096 0.074 0.113 0.074 0.035 0.050 0.037 0.037 0.078 0.054 0.086 0.114 0.125 0.081 0.065 0.084 0.047 0.049 0.044 0.050 0.079 0.054 0.013 0.016 0.080 0.028 0.039 0.046 0.077 0.057 0.051 0.061 0.085 0.061 0.071 0.048 0.069 0.137 0.059 0.059 0.076 0.038 0.068 0.067 0.076 0.046 0.041 0.094 0.060 0.059 0.053 0.017 0.061 0.136 0.064 0.094 0.042 0.046 0.019 0.040 0.068 0.070 0.055 0.106 0.048 0.104 0.080 0.062 0.057 4beta-hydroxy-cholesterol 0.028 0.059 0.052 0.103 0.030 0.110 0.070 0.062 0.050 0.080 0.069 0.086 0.093 0.054 0.053 0.031 0.031 0.016 0.043 0.192 0.131 0.040 0.101 0.077 0.048 0.014 0.073 0.047 0.051 0.185 0.039 0.068 0.041 0.571 0.086 0.027 0.098 0.067 0.040 0.043 0.052 0.061 0.088 0.047 0.054 0.144 0.048 0.051 0.051 0.112 0.113 0.047 0.073 0.042 0.055 0.030 0.128 0.091 0.042 0.042 0.047 0.037 0.094 0.092 0.155 0.038 0.138 0.058 0.041 0.043 0.039 0.038 0.061 0.034 0.103 0.038 0.066 0.066 0.040 0.052 0.043 0.063 0.190 0.056 0.080 0.059 0.069 0.067 Zymosterol 0.011 0.011 0.015 0.003 0.025 0.001 0.007 0.083 0.152 0.012 0.159 0.007 0.028 0.014 0.006 0.008 0.019 NA NA NA NA NA NA NA NA NA 0.252 NA 0.021 0.140 0.043 0.007 0.028 0.005 NA 0.009 0.007 NA 0.009 0.023 0.034 0.030 0.018 0.274 0.006 0.015 0.011 0.049 0.027 0.016 0.015 0.032 0.032 0.017 0.015 0.053 0.026 0.014 0.083 0.043 0.007 0.037 0.011 0.019 0.015 0.012 0.037 0.020 0.034 0.338 0.017 0.078 0.025 0.018 0.023 0.210 0.013 0.035 0.010 0.020 0.050 0.013 0.155 0.013 0.070 0.040 0.015 0.036 Desmosterol 1.815 1.942 2.005 1.031 3.693 0.853 2.249 2.493 1.463 1.392 2.308 2.169 2.458 0.857 0.298 0.699 2.413 1.852 3.795 1.258 3.293 8.235 2.285 2.251 1.719 1.240 0.680 2.258 2.693 0.513 2.520 3.485 7.023 1.823 2.302 5.970 2.250 3.083 1.421 1.903 2.633 2.426 3.066 2.171 1.227 1.982 2.496 2.559 2.741 1.791 0.363 1.899 0.631 2.436 1.576 1.597 2.832 2.500 6.940 0.528 1.707 2.819 1.502 2.360 2.404 1.556 2.865 1.823 2.534 9.639 2.033 0.826 2.564 2.196 3.006 1.455 1.035 1.552 0.804 2.226 4.354 3.132 1.724 2.136 5.797 3.048 3.209 0.839 14-demethyl-14-dehydrolanosterol 0.012 0.015 0.095 0.007 0.011 0.004 0.007 0.010 0.058 0.022 0.115 0.006 0.033 0.021 0.008 0.009 0.052 0.020 0.031 0.050 0.008 0.141 0.025 0.004 0.005 0.003 0.008 0.118 0.047 0.128 0.045 0.039 0.090 0.024 0.037 0.200 0.028 0.017 0.027 0.041 0.093 0.094 0.034 0.139 0.006 0.012 0.008 0.061 0.056 0.008 0.021 0.030 0.016 0.019 0.019 0.024 0.042 0.021 0.084 0.172 0.004 0.039 0.016 0.024 0.008 0.009 0.028 0.035 0.053 0.028 0.024 0.043 0.049 0.030 0.063 0.133 0.029 0.087 0.018 0.022 0.072 0.044 0.122 0.045 0.165 0.096 0.047 0.040 8-Dehydrochol 1.122 1.813 1.564 0.639 0.787 0.694 1.047 0.833 4.760 1.014 2.147 0.593 1.140 3.588 3.982 1.013 2.186 1.297 1.476 46.301 0.977 4.017 0.665 0.531 0.627 0.247 1.963 2.538 1.076 16.068 1.486 2.697 2.679 0.976 2.890 4.423 1.744 1.618 0.692 3.263 2.036 0.765 1.645 3.470 0.454 0.893 0.890 0.638 1.220 0.747 1.248 3.392 3.985 1.104 6.827 1.730 2.083 1.509 1.164 5.781 0.549 1.408 0.941 0.781 0.963 0.620 1.398 1.232 1.029 0.172 1.815 2.114 1.118 1.215 1.693 1.657 2.060 12.122 2.405 2.265 2.094 1.198 9.558 1.053 1.113 1.339 1.834 13.638 7-Dehydrochol 0.864 1.303 1.332 0.520 0.669 0.801 0.753 0.742 5.989 1.154 2.941 0.787 1.641 2.555 3.312 1.345 1.927 1.815 1.583 29.344 0.784 3.656 1.054 0.545 0.922 0.413 0.778 1.882 1.059 15.422 1.250 2.097 1.933 1.199 1.784 2.734 1.326 1.287 1.082 1.414 2.123 1.803 1.290 3.402 0.492 0.668 0.960 1.772 1.436 1.184 2.182 2.882 2.444 1.214 2.158 1.630 1.810 1.847 1.600 10.657 0.674 1.700 1.350 1.284 1.034 0.863 1.691 1.460 0.920 0.814 1.089 2.551 1.658 1.271 2.053 2.183 1.808 13.961 2.068 2.482 2.012 0.961 6.819 1.226 2.184 1.356 1.552 12.281 Cholestenone 0.056 0.085 0.069 0.027 0.123 0.090 0.110 0.087 0.101 0.016 0.125 0.067 0.093 0.103 0.040 0.046 0.067 0.018 0.115 0.085 0.099 0.137 0.094 0.011 0.113 0.041 0.058 0.099 0.125 0.217 0.227 0.174 0.178 0.133 0.158 0.111 0.100 0.108 0.129 0.100 0.120 0.140 0.107 0.063 0.030 0.041 0.076 0.074 0.080 0.079 0.019 0.144 0.029 0.080 0.131 0.014 0.133 0.110 0.095 0.118 0.059 0.103 0.092 0.120 0.056 0.021 0.140 0.073 0.126 0.037 0.092 0.104 0.218 0.095 0.168 0.092 0.086 0.147 0.190 0.474 0.505 0.329 0.577 0.101 0.365 0.448 0.422 0.271 14-Demethyllanosterol 0.676 0.693 0.692 0.743 1.334 0.642 1.194 2.178 0.832 0.949 0.822 1.043 1.334 0.815 1.131 0.757 0.724 1.059 1.229 0.903 1.806 1.352 0.833 1.183 1.957 0.444 1.435 0.574 0.402 2.105 0.484 1.307 0.760 2.115 0.656 0.700 0.724 0.841 0.853 0.356 0.635 0.420 0.905 0.417 0.421 1.989 1.573 0.770 0.482 0.986 0.592 1.210 0.968 0.811 1.512 0.988 0.900 0.991 0.525 0.372 1.859 0.898 1.479 0.796 1.144 1.017 1.097 0.753 0.392 0.477 0.356 0.533 0.556 0.437 0.744 0.499 0.530 0.872 0.538 1.543 0.586 0.574 0.356 0.599 0.662 0.563 0.535 0.648 Lanosterol NA 0.001 0.001 NA 0.001 NA NA 0.001 0.001 0.176 0.394 0.290 0.293 0.102 0.158 0.091 0.390 0.247 0.508 0.385 0.199 1.122 0.263 0.201 0.302 0.096 0.200 0.459 0.616 1.027 0.490 0.527 0.785 0.497 0.343 0.933 0.433 0.267 0.255 0.328 0.444 0.598 0.353 0.573 0.101 0.141 0.157 0.491 0.445 0.113 0.097 0.153 0.210 0.211 0.163 0.141 0.308 0.256 0.507 0.617 0.134 0.369 0.189 0.307 0.236 0.151 0.250 0.322 0.479 0.321 0.264 0.120 0.347 0.345 0.470 0.380 0.182 0.439 0.110 0.158 0.519 0.555 0.571 0.470 0.987 0.647 0.482 0.230 Cholestanol 4.246 9.678 3.409 5.902 10.481 8.555 7.656 12.243 4.779 5.850 6.937 7.513 7.417 3.346 10.582 4.251 5.171 5.392 7.605 9.024 12.856 9.307 4.679 5.868 7.346 3.180 14.333 4.167 5.853 22.784 3.713 9.912 3.544 18.312 9.052 7.195 11.320 9.077 14.806 4.116 7.948 5.304 6.480 4.538 5.125 14.708 6.213 5.079 6.124 11.679 9.973 6.500 6.948 6.301 6.806 4.592 7.818 9.863 6.160 4.086 10.204 6.490 9.534 6.321 12.619 9.271 9.977 5.129 7.016 5.951 6.538 4.207 6.157 5.177 4.926 3.830 4.203 5.207 6.997 10.638 8.470 5.813 5.984 5.121 6.300 5.452 6.485 5.335 Campesterol 7.165 5.071 2.878 5.001 14.648 3.293 7.186 17.301 5.721 5.645 6.165 8.304 10.209 6.627 5.195 5.512 6.066 5.809 9.062 22.733 27.877 9.563 7.410 10.240 16.172 3.012 9.409 6.713 2.551 18.810 3.255 13.009 3.817 12.528 6.204 7.921 4.546 6.006 6.619 3.126 6.848 3.779 8.627 4.346 3.246 21.670 12.521 7.393 4.695 11.274 5.193 8.004 10.622 7.374 15.548 7.223 8.422 14.197 4.925 5.061 12.474 7.906 16.190 7.575 11.435 7.886 8.210 6.849 3.622 3.955 6.593 3.413 4.669 3.392 9.453 5.793 4.228 7.501 8.681 25.365 12.026 11.170 9.025 10.972 15.370 9.760 10.104 9.659 Stigmasterol 0.351 0.266 0.115 0.240 0.561 0.193 0.431 1.187 0.256 0.149 0.232 0.488 0.410 0.380 0.313 0.164 0.218 NA NA NA NA NA NA NA NA NA NA NA 0.219 0.636 0.087 0.401 0.197 0.478 0.207 0.258 0.186 0.202 0.280 0.090 0.173 0.091 0.210 0.084 0.139 0.788 0.470 0.235 0.119 0.398 0.290 0.273 0.278 0.292 0.541 0.295 0.176 0.274 0.142 0.248 0.663 0.259 0.426 0.169 0.430 0.429 0.750 0.414 0.139 0.143 0.141 0.125 0.113 0.346 0.587 0.433 0.253 0.482 0.253 0.322 0.342 0.403 0.411 0.468 0.331 0.327 0.457 0.376 Sitosterol 5.750 3.867 2.223 3.860 12.584 2.165 6.968 18.619 4.595 3.975 5.014 11.187 7.808 5.772 8.137 3.158 3.646 4.901 5.007 11.173 18.602 7.111 3.819 9.708 15.627 2.161 11.015 5.482 2.571 14.964 1.799 8.253 3.186 14.351 3.725 4.747 4.274 5.707 6.477 1.845 4.409 2.138 5.812 2.337 2.307 17.993 13.868 4.902 2.825 7.054 3.245 6.869 6.964 5.741 9.374 4.949 5.194 8.600 3.269 3.108 11.153 5.334 10.102 4.692 9.016 7.115 7.773 5.185 2.224 2.954 2.161 2.161 3.440 2.808 7.047 4.717 3.347 5.846 3.998 12.148 4.999 5.268 3.026 5.682 6.370 4.060 4.174 4.930 24-dihydro Lanosterol NA NA NA NA NA NA NA NA NA 0.034 0.066 0.086 0.056 0.030 0.100 0.018 0.047 0.049 0.096 0.144 0.129 0.161 0.060 0.080 0.100 0.039 0.173 0.081 0.056 0.355 0.085 0.173 0.116 0.240 0.097 0.115 0.121 0.115 0.115 0.048 0.061 0.060 0.059 0.076 0.057 0.090 0.097 0.065 0.064 0.057 0.049 0.051 0.054 0.060 0.066 0.038 0.060 0.056 0.056 0.055 0.104 0.063 0.047 0.063 0.111 0.082 0.078 0.056 0.074 0.028 0.073 0.037 0.053 0.062 0.074 0.059 0.038 0.067 0.068 0.160 0.121 0.096 0.074 0.103 0.137 0.075 0.088 0.102 Stigmastanol 0.096 0.056 0.039 0.072 0.176 0.061 0.084 0.248 0.101 0.054 0.050 0.103 0.055 0.056 0.104 0.052 0.055 0.072 0.074 0.060 0.168 0.077 0.057 0.119 0.173 0.037 0.243 0.061 0.042 0.205 0.131 0.087 0.036 0.156 0.048 0.392 0.055 0.051 0.055 0.019 0.049 0.030 0.072 0.027 0.047 0.173 0.129 0.039 0.045 0.072 0.041 0.029 0.077 0.054 0.086 0.061 0.077 0.069 0.039 0.035 0.131 0.056 0.046 0.052 0.094 0.084 0.099 0.061 0.020 0.038 0.029 0.035 0.028 0.050 0.075 0.064 0.051 0.074 0.068 0.115 0.111 0.099 0.098 0.113 0.189 0.081 0.091 0.121 Cholesterol-total 2974.266 4939.868 3181.172 1836.286 2457.002 3207.035 2560.455 2353.550 4551.920 2327.687 5793.353 2353.550 4681.236 2948.403 1991.465 2741.497 4189.836 3776.025 4448.468 8379.672 3051.856 6233.027 4448.468 1836.286 2146.644 1215.570 1629.381 4034.657 4034.657 6129.575 3931.204 6129.575 4345.015 4655.373 4862.279 5508.858 4500.194 3957.067 3750.162 3750.162 4888.142 3853.614 4345.015 4784.689 1551.791 2482.866 2586.318 4474.331 4345.015 3051.856 2353.550 4810.552 2819.087 4112.246 3853.614 3103.582 4810.552 4345.015 3801.888 4422.604 1836.286 4163.973 4396.741 4448.468 3077.719 2017.328 6310.617 3569.119 3672.572 2819.087 3905.341 3931.204 4008.793 3413.940 4810.552 3155.308 3336.351 5198.500 2844.950 5069.184 4345.015 3413.940 4448.468 3698.435 4836.415 3801.888 4655.373 3077.719 3-oxo,7alpha-hydroxycholesterol 0.038 0.052 0.084 0.007 0.003 0.012 0.005 0.003 0.039 0.005 0.012 0.005 0.006 0.027 0.002 0.005 0.053 0.029 0.040 0.098 0.005 0.156 0.028 0.004 0.006 0.001 0.002 0.037 0.025 0.278 0.060 0.116 0.009 0.049 0.118 0.113 0.056 0.045 0.028 0.052 0.130 0.092 0.064 0.155 0.002 0.004 0.010 0.071 0.053 0.002 0.005 0.099 0.058 0.042 0.087 0.007 0.110 0.014 0.098 0.051 0.002 0.099 0.026 0.009 0.038 0.002 0.013 0.037 0.161 0.058 0.025 0.048 0.108 0.008 0.039 0.116 0.060 0.154 0.064 0.148 0.189 0.081 0.065 0.103 0.080 0.062 0.025 0.141 MS_METABOLITE_DATA_END #METABOLITES METABOLITES_START metabolite_name 7alpha,25-dihydroxycholesterol 7alpha,27-dihydroxy cholesterol 7alpha,24S-dihydroxycholesterol 5alpha,6alpha-24S,25-diepoxy-cholesterol 25-hydroxy Vitamin D3 25-hydroxy Vitamin D2 22R-hydroxy-cholesterol 25-hydroxy-cholesterol 24S-hydroxy-cholesterol 27-hydroxy-cholesterol 24-oxocholesterol 24,25-epoxy-cholesterol 3beta,5alpha,6beta-trihydroxycholestanol 20-hydroxycholesterol 7alpha-hydroxy-cholesterol 7-oxo-cholesterol 19-hydroxycholesterol 6alpha-hydroxy-cholestanol 5alpha-hydroxycholesterol 5,6beta-epoxy-cholesterol 5,6alpha-epoxy-cholesterol 4beta-hydroxy-cholesterol Zymosterol Desmosterol 14-demethyl-14-dehydrolanosterol 8-Dehydrochol 7-Dehydrochol Cholestenone 14-Demethyllanosterol Lanosterol Cholestanol Campesterol Stigmasterol Sitosterol 24-dihydro Lanosterol Stigmastanol Cholesterol-total 3-oxo,7alpha-hydroxycholesterol METABOLITES_END #END