#METABOLOMICS WORKBENCH cbeekman_20240117_124246 DATATRACK_ID:4594 STUDY_ID:ST003277 ANALYSIS_ID:AN005365 PROJECT_ID:PR001952
VERSION 1
CREATED_ON 03-10-2025
#PROJECT
PR:PROJECT_TITLE Spatial analysis of murine GI reveals role of small intestinal bile acid
PR:PROJECT_TITLE metabolism in amoxicillin-induced dysbiosis
PR:PROJECT_SUMMARY Antibiotics cause collateral damage to resident microbes that is associated with
PR:PROJECT_SUMMARY various health risks. To-date, studies have largely focused on impacts of
PR:PROJECT_SUMMARY antibiotics on large intestinal and fecal microbiota. Here, we employ a GI-wide
PR:PROJECT_SUMMARY integrated multiomic approach to reveal that amoxicillin (AMX) treatment reduces
PR:PROJECT_SUMMARY overall bacterial abundance, bile salt hydrolase activity and unconjugated bile
PR:PROJECT_SUMMARY acids in the small intestine (SI). An accompanying loss of fatty acids and
PR:PROJECT_SUMMARY increase in acyl-carnitines in the large intestine corresponded with
PR:PROJECT_SUMMARY spatially-distinct expansions of proteobacteria. Parasutterella
PR:PROJECT_SUMMARY excrementihominis utilized fatty acid biosynthesis, becoming dominant in the SI
PR:PROJECT_SUMMARY while multiple Klebsiella species employed fatty acid oxidation during expansion
PR:PROJECT_SUMMARY in the large intestine. Depletion of bile acids and lipids may contribute to
PR:PROJECT_SUMMARY AMX-induced dysbiosis in the lower GI. To test this, we demonstrate that
PR:PROJECT_SUMMARY restoration of unconjugated bile acids can mitigate losses of commensals in the
PR:PROJECT_SUMMARY large intestine while also inhibiting the expansion of Proteobacteria during AMX
PR:PROJECT_SUMMARY treatment.
PR:INSTITUTE Brown University
PR:DEPARTMENT MMI
PR:LABORATORY MMI, Belenky Lab
PR:LAST_NAME Beekman
PR:FIRST_NAME Chapman
PR:ADDRESS BMC 613, 171 Meeting Street, Providence RI 02912
PR:EMAIL Chapman_Beekman@brown.edu
PR:PHONE 4012071832
PR:DOI http://dx.doi.org/10.21228/M8DD95
#STUDY
ST:STUDY_TITLE LC-MS/MS spatial analysis of mouse GI
ST:STUDY_SUMMARY Untargeted metabolomic analysis of lumenal contents from AMX-treated and
ST:STUDY_SUMMARY untreated mice
ST:INSTITUTE Brown University
ST:LAST_NAME Beekman
ST:FIRST_NAME Chapman
ST:ADDRESS BMC 613, 171 Meeting Street, Providence RI 02912
ST:EMAIL Chapman_Beekman@brown.edu
ST:PHONE 4012071832
ST:SUBMIT_DATE 2024-01-17
#SUBJECT
SU:SUBJECT_TYPE Mammal
SU:SUBJECT_SPECIES Mus musculus
SU:TAXONOMY_ID 10090
SU:GENOTYPE_STRAIN C57/BL6
SU:ANIMAL_ANIMAL_SUPPLIER JAX
SU:SPECIES_GROUP Mammals
#SUBJECT_SAMPLE_FACTORS: SUBJECT(optional)[tab]SAMPLE[tab]FACTORS(NAME:VALUE pairs separated by |)[tab]Additional sample data
SUBJECT_SAMPLE_FACTORS 1 A38 Cage #:1 | Organ:Blood | Treatment:Amox
SUBJECT_SAMPLE_FACTORS 2 A40 Cage #:1 | Organ:Blood | Treatment:Amox
SUBJECT_SAMPLE_FACTORS 3 A42 Cage #:1 | Organ:Blood | Treatment:Amox
SUBJECT_SAMPLE_FACTORS 2 A11 Cage #:1 | Organ:Cecum | Treatment:Amox
SUBJECT_SAMPLE_FACTORS 3 A17 Cage #:1 | Organ:Cecum | Treatment:Amox
SUBJECT_SAMPLE_FACTORS 1 A5 Cage #:1 | Organ:Cecum | Treatment:Amox
SUBJECT_SAMPLE_FACTORS 2 A12 Cage #:1 | Organ:Colon | Treatment:Amox
SUBJECT_SAMPLE_FACTORS 3 A18 Cage #:1 | Organ:Colon | Treatment:Amox
SUBJECT_SAMPLE_FACTORS 1 A6 Cage #:1 | Organ:Colon | Treatment:Amox
SUBJECT_SAMPLE_FACTORS 2 A10 Cage #:1 | Organ:DSI | Treatment:Amox
SUBJECT_SAMPLE_FACTORS 3 A16 Cage #:1 | Organ:DSI | Treatment:Amox
SUBJECT_SAMPLE_FACTORS 1 A4 Cage #:1 | Organ:DSI | Treatment:Amox
SUBJECT_SAMPLE_FACTORS 1 A37 Cage #:1 | Organ:Liver | Treatment:Amox
SUBJECT_SAMPLE_FACTORS 2 A39 Cage #:1 | Organ:Liver | Treatment:Amox
SUBJECT_SAMPLE_FACTORS 3 A41 Cage #:1 | Organ:Liver | Treatment:Amox
SUBJECT_SAMPLE_FACTORS 3 A15 Cage #:1 | Organ:MSI | Treatment:Amox
SUBJECT_SAMPLE_FACTORS 1 A3 Cage #:1 | Organ:MSI | Treatment:Amox
SUBJECT_SAMPLE_FACTORS 2 A9 Cage #:1 | Organ:MSI | Treatment:Amox
SUBJECT_SAMPLE_FACTORS 3 A14 Cage #:1 | Organ:PSI | Treatment:Amox
SUBJECT_SAMPLE_FACTORS 1 A2 Cage #:1 | Organ:PSI | Treatment:Amox
SUBJECT_SAMPLE_FACTORS 2 A8 Cage #:1 | Organ:PSI | Treatment:Amox
SUBJECT_SAMPLE_FACTORS 1 A1 Cage #:1 | Organ:Stomach | Treatment:Amox
SUBJECT_SAMPLE_FACTORS 3 A13 Cage #:1 | Organ:Stomach | Treatment:Amox
SUBJECT_SAMPLE_FACTORS 2 A7 Cage #:1 | Organ:Stomach | Treatment:Amox
SUBJECT_SAMPLE_FACTORS 4 A44 Cage #:2 | Organ:Blood | Treatment:Amox
SUBJECT_SAMPLE_FACTORS 5 A46 Cage #:2 | Organ:Blood | Treatment:Amox
SUBJECT_SAMPLE_FACTORS 6 A48 Cage #:2 | Organ:Blood | Treatment:Amox
SUBJECT_SAMPLE_FACTORS 4 A23 Cage #:2 | Organ:Cecum | Treatment:Amox
SUBJECT_SAMPLE_FACTORS 5 A29 Cage #:2 | Organ:Cecum | Treatment:Amox
SUBJECT_SAMPLE_FACTORS 6 A35 Cage #:2 | Organ:Cecum | Treatment:Amox
SUBJECT_SAMPLE_FACTORS 4 A24 Cage #:2 | Organ:Colon | Treatment:Amox
SUBJECT_SAMPLE_FACTORS 5 A30 Cage #:2 | Organ:Colon | Treatment:Amox
SUBJECT_SAMPLE_FACTORS 6 A36 Cage #:2 | Organ:Colon | Treatment:Amox
SUBJECT_SAMPLE_FACTORS 4 A22 Cage #:2 | Organ:DSI | Treatment:Amox
SUBJECT_SAMPLE_FACTORS 5 A28 Cage #:2 | Organ:DSI | Treatment:Amox
SUBJECT_SAMPLE_FACTORS 6 A34 Cage #:2 | Organ:DSI | Treatment:Amox
SUBJECT_SAMPLE_FACTORS 4 A43 Cage #:2 | Organ:Liver | Treatment:Amox
SUBJECT_SAMPLE_FACTORS 5 A45 Cage #:2 | Organ:Liver | Treatment:Amox
SUBJECT_SAMPLE_FACTORS 6 A47 Cage #:2 | Organ:Liver | Treatment:Amox
SUBJECT_SAMPLE_FACTORS 4 A21 Cage #:2 | Organ:MSI | Treatment:Amox
SUBJECT_SAMPLE_FACTORS 5 A27 Cage #:2 | Organ:MSI | Treatment:Amox
SUBJECT_SAMPLE_FACTORS 6 A33 Cage #:2 | Organ:MSI | Treatment:Amox
SUBJECT_SAMPLE_FACTORS 4 A20 Cage #:2 | Organ:PSI | Treatment:Amox
SUBJECT_SAMPLE_FACTORS 5 A26 Cage #:2 | Organ:PSI | Treatment:Amox
SUBJECT_SAMPLE_FACTORS 6 A32 Cage #:2 | Organ:PSI | Treatment:Amox
SUBJECT_SAMPLE_FACTORS 4 A19 Cage #:2 | Organ:Stomach | Treatment:Amox
SUBJECT_SAMPLE_FACTORS 5 A25 Cage #:2 | Organ:Stomach | Treatment:Amox
SUBJECT_SAMPLE_FACTORS 6 A31 Cage #:2 | Organ:Stomach | Treatment:Amox
SUBJECT_SAMPLE_FACTORS 8 C11 Cage #:3 | Organ:Cecum | Treatment:Control
SUBJECT_SAMPLE_FACTORS 9 C17 Cage #:3 | Organ:Cecum | Treatment:Control
SUBJECT_SAMPLE_FACTORS 7 C5 Cage #:3 | Organ:Cecum | Treatment:Control
SUBJECT_SAMPLE_FACTORS 8 C12 Cage #:3 | Organ:Colon | Treatment:Control
SUBJECT_SAMPLE_FACTORS 9 C18 Cage #:3 | Organ:Colon | Treatment:Control
SUBJECT_SAMPLE_FACTORS 7 C6 Cage #:3 | Organ:Colon | Treatment:Control
SUBJECT_SAMPLE_FACTORS 8 C10 Cage #:3 | Organ:DSI | Treatment:Control
SUBJECT_SAMPLE_FACTORS 9 C16 Cage #:3 | Organ:DSI | Treatment:Control
SUBJECT_SAMPLE_FACTORS 7 C4 Cage #:3 | Organ:DSI | Treatment:Control
SUBJECT_SAMPLE_FACTORS 9 C15 Cage #:3 | Organ:MSI | Treatment:Control
SUBJECT_SAMPLE_FACTORS 7 C3 Cage #:3 | Organ:MSI | Treatment:Control
SUBJECT_SAMPLE_FACTORS 8 C9 Cage #:3 | Organ:MSI | Treatment:Control
SUBJECT_SAMPLE_FACTORS 9 C14 Cage #:3 | Organ:PSI | Treatment:Control
SUBJECT_SAMPLE_FACTORS 7 C2 Cage #:3 | Organ:PSI | Treatment:Control
SUBJECT_SAMPLE_FACTORS 8 C8 Cage #:3 | Organ:PSI | Treatment:Control
SUBJECT_SAMPLE_FACTORS 7 C1 Cage #:3 | Organ:Stomach | Treatment:Control
SUBJECT_SAMPLE_FACTORS 9 C13 Cage #:3 | Organ:Stomach | Treatment:Control
SUBJECT_SAMPLE_FACTORS 8 C7 Cage #:3 | Organ:Stomach | Treatment:Control
SUBJECT_SAMPLE_FACTORS 10 C23 Cage #:4 | Organ:Cecum | Treatment:Control
SUBJECT_SAMPLE_FACTORS 11 C29 Cage #:4 | Organ:Cecum | Treatment:Control
SUBJECT_SAMPLE_FACTORS 12 C35 Cage #:4 | Organ:Cecum | Treatment:Control
SUBJECT_SAMPLE_FACTORS 10 C24 Cage #:4 | Organ:Colon | Treatment:Control
SUBJECT_SAMPLE_FACTORS 11 C30 Cage #:4 | Organ:Colon | Treatment:Control
SUBJECT_SAMPLE_FACTORS 12 C36 Cage #:4 | Organ:Colon | Treatment:Control
SUBJECT_SAMPLE_FACTORS 10 C22 Cage #:4 | Organ:DSI | Treatment:Control
SUBJECT_SAMPLE_FACTORS 11 C28 Cage #:4 | Organ:DSI | Treatment:Control
SUBJECT_SAMPLE_FACTORS 12 C34 Cage #:4 | Organ:DSI | Treatment:Control
SUBJECT_SAMPLE_FACTORS 10 C21 Cage #:4 | Organ:MSI | Treatment:Control
SUBJECT_SAMPLE_FACTORS 11 C27 Cage #:4 | Organ:MSI | Treatment:Control
SUBJECT_SAMPLE_FACTORS 12 C33 Cage #:4 | Organ:MSI | Treatment:Control
SUBJECT_SAMPLE_FACTORS 10 C20 Cage #:4 | Organ:PSI | Treatment:Control
SUBJECT_SAMPLE_FACTORS 11 C26 Cage #:4 | Organ:PSI | Treatment:Control
SUBJECT_SAMPLE_FACTORS 12 C32 Cage #:4 | Organ:PSI | Treatment:Control
SUBJECT_SAMPLE_FACTORS 10 C19 Cage #:4 | Organ:Stomach | Treatment:Control
SUBJECT_SAMPLE_FACTORS 11 C25 Cage #:4 | Organ:Stomach | Treatment:Control
SUBJECT_SAMPLE_FACTORS 12 C31 Cage #:4 | Organ:Stomach | Treatment:Control
#COLLECTION
CO:COLLECTION_SUMMARY Lumenal contents collected from multiple GI sites and immediately flash frozen
CO:SAMPLE_TYPE Blood;Cecum;Colon;DSI;MSI;Liver;PSI;Stomach
#TREATMENT
TR:TREATMENT_SUMMARY Mice were treated for 24h with amoxicillin/vehicle in drinking water
TR:TREATMENT_COMPOUND Amoxicillin
TR:TREATMENT_ROUTE oral
#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 (LC/MS Pos early)
CH:INSTRUMENT_NAME Waters Acquity
CH:COLUMN_NAME Waters Acquity BEH C18 (100 x 2mm, 1.7um)
CH:COLUMN_TEMPERATURE 40-50
CH:FLOW_GRADIENT Linear gradient from 5% B to 80% B over 3.35 minutes
CH:FLOW_RATE 0.35 mL/min
CH:SOLVENT_A 100% water; 0.1% formic acid; 0.05% PFPA, pH ~2.5
CH:SOLVENT_B 100% methanol; 0.1% formic acid; 0.05% PFPA, pH ~2.5
CH:CHROMATOGRAPHY_TYPE Reversed phase
#ANALYSIS
AN:ANALYSIS_TYPE MS
#MS
MS:INSTRUMENT_NAME Thermo Q Exactive Orbitrap
MS:INSTRUMENT_TYPE Orbitrap
MS:MS_TYPE ESI
MS:MS_COMMENTS Metabolon (LC/MS Pos early)
MS:ION_MODE POSITIVE
#MS_METABOLITE_DATA
MS_METABOLITE_DATA:UNITS normalized imputed data
MS_METABOLITE_DATA_START
Samples A11 A17 A5 A12 A18 A6 A10 A16 A4 A15 A3 A9 A14 A2 A8 A1 A13 A7 A23 A29 A35 A24 A30 A36 A22 A28 A34 A21 A27 A33 A20 A26 A32 A19 A25 A31 C11 C17 C5 C12 C6 C10 C16 C4 C15 C3 C9 C14 C2 C8 C1 C13 C7 C23 C29 C35 C24 C30 C36 C22 C28 C34 C21 C27 C33 C20 C26 C32 C19 C25 C31
Factors Cage #:1 | Organ:Cecum | Treatment:Amox Cage #:1 | Organ:Cecum | Treatment:Amox Cage #:1 | Organ:Cecum | Treatment:Amox Cage #:1 | Organ:Colon | Treatment:Amox Cage #:1 | Organ:Colon | Treatment:Amox Cage #:1 | Organ:Colon | Treatment:Amox Cage #:1 | Organ:DSI | Treatment:Amox Cage #:1 | Organ:DSI | Treatment:Amox Cage #:1 | Organ:DSI | Treatment:Amox Cage #:1 | Organ:MSI | Treatment:Amox Cage #:1 | Organ:MSI | Treatment:Amox Cage #:1 | Organ:MSI | Treatment:Amox Cage #:1 | Organ:PSI | Treatment:Amox Cage #:1 | Organ:PSI | Treatment:Amox Cage #:1 | Organ:PSI | Treatment:Amox Cage #:1 | Organ:Stomach | Treatment:Amox Cage #:1 | Organ:Stomach | Treatment:Amox Cage #:1 | Organ:Stomach | Treatment:Amox Cage #:2 | Organ:Cecum | Treatment:Amox Cage #:2 | Organ:Cecum | Treatment:Amox Cage #:2 | Organ:Cecum | Treatment:Amox Cage #:2 | Organ:Colon | Treatment:Amox Cage #:2 | Organ:Colon | Treatment:Amox Cage #:2 | Organ:Colon | Treatment:Amox Cage #:2 | Organ:DSI | Treatment:Amox Cage #:2 | Organ:DSI | Treatment:Amox Cage #:2 | Organ:DSI | Treatment:Amox Cage #:2 | Organ:MSI | Treatment:Amox Cage #:2 | Organ:MSI | Treatment:Amox Cage #:2 | Organ:MSI | Treatment:Amox Cage #:2 | Organ:PSI | Treatment:Amox Cage #:2 | Organ:PSI | Treatment:Amox Cage #:2 | Organ:PSI | Treatment:Amox Cage #:2 | Organ:Stomach | Treatment:Amox Cage #:2 | Organ:Stomach | Treatment:Amox Cage #:2 | Organ:Stomach | Treatment:Amox Cage #:3 | Organ:Cecum | Treatment:Control Cage #:3 | Organ:Cecum | Treatment:Control Cage #:3 | Organ:Cecum | Treatment:Control Cage #:3 | Organ:Colon | Treatment:Control Cage #:3 | Organ:Colon | Treatment:Control Cage #:3 | Organ:DSI | Treatment:Control Cage #:3 | Organ:DSI | Treatment:Control Cage #:3 | Organ:DSI | Treatment:Control Cage #:3 | Organ:MSI | Treatment:Control Cage #:3 | Organ:MSI | Treatment:Control Cage #:3 | Organ:MSI | Treatment:Control Cage #:3 | Organ:PSI | Treatment:Control Cage #:3 | Organ:PSI | Treatment:Control Cage #:3 | Organ:PSI | Treatment:Control Cage #:3 | Organ:Stomach | Treatment:Control Cage #:3 | Organ:Stomach | Treatment:Control Cage #:3 | Organ:Stomach | Treatment:Control Cage #:4 | Organ:Cecum | Treatment:Control Cage #:4 | Organ:Cecum | Treatment:Control Cage #:4 | Organ:Cecum | Treatment:Control Cage #:4 | Organ:Colon | Treatment:Control Cage #:4 | Organ:Colon | Treatment:Control Cage #:4 | Organ:Colon | Treatment:Control Cage #:4 | Organ:DSI | Treatment:Control Cage #:4 | Organ:DSI | Treatment:Control Cage #:4 | Organ:DSI | Treatment:Control Cage #:4 | Organ:MSI | Treatment:Control Cage #:4 | Organ:MSI | Treatment:Control Cage #:4 | Organ:MSI | Treatment:Control Cage #:4 | Organ:PSI | Treatment:Control Cage #:4 | Organ:PSI | Treatment:Control Cage #:4 | Organ:PSI | Treatment:Control Cage #:4 | Organ:Stomach | Treatment:Control Cage #:4 | Organ:Stomach | Treatment:Control Cage #:4 | Organ:Stomach | Treatment:Control
1-methyl-4-imidazoleacetate 1.1679 0.3113 1.1928 0.7992 0.6927 0.8008 0.5757 0.8284 0.4039 1.5759 0.4933 1.6455 1.1506 0.9830 1.2079 0.2615 0.5628 0.6130 0.9935 1.2030 1.2058 0.4672 0.9893 0.5596 0.3823 0.6646 0.4685 0.5618 0.9176 1.3497 0.9385 1.0607 1.3845 0.2948 0.5180 0.7361 1.8046 2.0637 1.7559 1.4218 1.5258 1.0995 1.2143 0.9675 1.0389 1.0165 1.2902 0.9560 1.0693 1.1984 0.1351 0.6242 0.7068 1.7168 1.6093 1.6356 1.2110 1.0324 1.2617 1.5070 0.9262 1.2833 0.8173 1.3742 1.2058 1.5582 1.0000 1.1788 0.2962 0.5656 0.1723
1-methyl-5-imidazoleacetate 14.7571 0.8832 4.1976 11.8108 2.0627 2.9097 1.0000 1.9364 1.5111 0.9446 0.4524 0.7986 0.3065 0.3019 0.7330 0.5092 0.8319 2.4168 2.8841 5.1650 3.5409 1.6539 3.5129 1.7039 0.8757 2.2887 1.2858 0.4012 0.6002 0.5965 0.4252 0.3416 0.3152 0.6180 0.5604 0.7854 10.3159 12.7341 11.6693 8.8370 11.3894 0.9916 0.7911 0.8846 1.3066 0.7591 1.0147 0.4143 0.5647 0.7679 0.7402 2.1758 2.1483 12.8304 10.0061 11.7795 10.2917 7.6435 11.1868 0.7913 1.2092 1.6458 0.2465 1.1697 0.8600 0.4976 0.8273 0.3615 0.6124 2.4995 0.3335
1-methyladenine 0.6422 0.3952 0.9770 0.3747 1.3690 1.6368 0.2021 0.4943 0.3137 0.5726 0.1167 0.1167 0.1167 0.1167 0.1167 0.4895 1.2409 0.1167 4.4611 1.9485 1.0230 4.4986 2.1205 0.8744 0.9610 0.3567 0.1167 0.2676 0.2232 0.1506 0.3876 0.1167 0.1167 1.7418 0.2500 0.4073 2.2695 1.9307 1.7825 0.9251 1.6289 4.0969 3.8174 3.3902 2.9233 1.5585 2.7110 0.7823 0.4978 0.9392 0.6552 0.9102 0.7265 1.2236 1.6419 2.4100 1.2706 0.9273 1.3156 1.9665 3.2529 5.0623 1.3094 2.5131 3.0190 1.2946 0.6293 0.1886 0.4709 0.6780 0.1167
1-methylguanidine 1.2176 0.3145 0.9396 0.9706 0.7407 0.7694 0.3703 0.5252 0.3461 0.7314 0.3381 0.5315 1.8590 0.7701 0.9535 10.0987 4.9618 2.3227 1.4486 1.1950 0.7233 0.8586 0.8676 0.5187 0.4610 0.5552 0.3085 0.4073 1.2110 0.2833 1.4264 9.9529 0.7316 18.5606 17.0324 5.4227 1.1393 1.1162 1.0870 1.1109 1.0633 0.6419 0.5367 1.6331 0.7335 2.7265 0.6802 2.0125 6.7696 1.4946 29.5158 4.1821 5.9770 1.2733 0.9191 1.0451 1.1825 1.0000 1.1683 0.5193 0.3763 0.6751 0.8833 0.4531 1.9316 1.5636 0.9414 3.1283 9.8342 2.1524 0.9702
1-methylhistamine 1.6647 0.1933 2.2215 1.6761 0.6477 1.7989 0.6908 0.4925 0.6496 0.6235 0.4462 0.1933 0.1933 0.1933 0.1933 1.3133 0.9094 1.3951 2.6308 1.1729 1.0326 1.1493 1.0021 0.7388 0.5709 0.4383 0.1933 0.1933 0.1933 0.9492 0.1933 0.2469 0.3261 1.6670 1.7611 0.7580 2.0467 1.7560 1.8553 1.9156 1.3556 1.6294 0.7075 0.3549 0.7099 1.0175 0.2303 0.1933 0.7265 0.1933 0.7967 1.0000 0.9822 2.1499 1.9831 1.5251 1.8038 1.7391 1.5875 0.6245 0.1933 0.5173 0.1933 0.1933 0.7309 0.1933 0.1933 0.1933 1.4818 0.9914 0.6480
1-methylhistidine 1.2221 0.3684 1.9506 0.5943 0.2166 1.2586 2.9321 1.5093 0.2630 4.0735 3.4599 1.8334 2.0104 0.9551 1.3995 0.4426 0.3351 0.1795 1.6741 1.0628 0.6336 0.8262 0.8140 0.1367 0.8472 3.1132 1.5684 2.3417 3.1869 0.6361 1.0916 1.3585 0.9279 0.6257 0.5737 0.2144 0.4536 0.3491 1.0827 0.4357 0.3569 2.2986 0.8728 2.8907 0.9556 1.0000 3.1005 1.5274 1.1632 1.2431 1.4788 0.2301 0.1367 0.8995 0.6653 0.6370 0.9036 0.5649 0.3278 2.8280 5.9485 1.8141 3.7761 1.6249 1.0293 0.8362 1.8962 1.0331 0.5307 0.1367 0.2350
1-methylnicotinamide 0.0227 0.5403 0.1847 0.0227 1.4366 0.1354 1.7733 12.4961 7.6055 5.7637 2.2728 1.6208 0.8583 0.7416 0.6662 0.2529 1.1466 0.5895 1.7840 0.5091 2.0137 1.2017 0.5607 1.5169 3.9865 4.6007 3.5570 2.0001 1.1758 8.7310 1.1400 0.5476 1.2770 0.3383 0.8423 1.0403 0.0227 0.0849 0.1094 0.0227 0.0227 3.1872 2.0647 1.4673 1.0217 0.7445 1.4208 0.7189 0.6369 0.5434 0.0435 0.4629 0.2658 0.0227 0.0686 0.0697 0.2168 0.4007 0.0227 5.9737 1.8922 2.6940 2.1426 1.5301 1.0000 2.9383 0.8634 0.6886 0.8389 0.1801 0.6402
1-ribosyl-imidazoleacetate* 0.2107 0.2009 1.0594 0.0600 0.9248 0.8198 1.3895 2.9700 0.9825 2.8073 0.5843 1.0362 1.6703 0.7035 1.2918 0.2420 0.5841 0.4047 1.0589 1.2753 1.6183 0.4478 0.8794 1.0175 1.1239 2.5818 1.3683 0.6429 0.9725 2.3021 0.8955 1.4184 1.5807 0.2257 0.4006 0.8507 0.0600 0.0600 0.0600 0.0600 0.0600 2.5763 1.8054 1.3631 1.0796 1.5221 1.4523 1.1518 1.8041 1.5947 0.0600 0.2102 0.0600 0.1308 0.1905 0.2738 0.0821 0.0994 0.0600 1.6998 1.0527 1.3898 0.6200 0.9187 0.7483 1.6047 0.9045 1.6255 0.1837 0.0600 0.1117
2_8-quinolinediol 13.5730 0.0501 0.0828 2.2331 0.0099 0.0501 0.0099 0.0099 0.0099 0.0099 0.0099 0.0099 0.0099 0.0099 0.0099 0.5627 0.0872 1.4193 0.0099 0.0099 0.0120 0.0099 0.0099 0.0099 0.0099 0.0099 0.0099 0.0099 0.0099 0.0099 0.0099 0.0099 0.0099 0.0166 0.0151 0.0932 22.9996 15.2686 27.4674 6.1268 7.3928 0.0099 0.0193 0.0872 0.0201 0.0099 0.0099 0.0099 0.0099 0.0099 1.2965 5.0004 4.8894 22.7364 17.6607 13.8688 8.9484 6.7164 7.3549 0.3270 0.1375 0.1817 0.0099 0.0257 0.0099 0.0559 0.0099 0.0099 2.1118 5.5794 0.7035
2-aminophenol 5.1704 0.5453 2.8410 3.4220 1.4970 3.5386 0.4014 0.5360 0.2732 0.2175 0.4621 0.5499 0.2175 0.5214 0.6618 2.0033 1.3908 1.5876 1.8955 4.2276 2.6104 1.7449 2.9577 1.7435 0.2175 0.3415 0.2175 0.3353 0.5145 0.5387 0.6073 0.3162 0.4916 1.4172 0.6309 1.1027 3.1337 4.9887 2.7515 1.7442 2.0833 0.7114 0.7816 0.5944 0.4190 0.6374 0.6124 0.6257 0.4506 0.6303 1.4304 1.8521 1.8127 2.8061 2.4252 6.7808 2.3728 2.4181 3.1554 0.6253 0.7671 0.9714 0.4536 1.0286 0.7457 0.3921 0.3701 0.2734 1.5450 2.6123 1.0432
2^-deoxyadenosine 23.1776 0.1663 2.1216 13.4753 0.6072 2.0072 0.5420 0.6039 0.2634 0.5807 0.4851 4.5006 0.6915 0.6287 0.4010 0.1663 0.1719 0.5981 1.2972 2.3860 1.1041 1.9125 2.8668 1.3846 0.7352 1.4367 0.6202 0.5400 1.2076 0.3747 1.8273 0.1663 0.5326 0.2469 0.1663 0.4156 1.7437 1.4166 1.5206 1.4820 1.0000 1.1283 2.2511 3.3463 1.8835 1.6785 2.2954 0.1663 2.0296 0.6189 0.1663 0.7445 0.2417 1.4151 0.8815 0.6852 1.2234 0.5613 0.7596 1.7120 0.6577 1.3416 3.8474 3.2593 2.7467 0.4008 0.4847 0.2669 0.4609 0.1663 0.2378
2^-deoxyadenosine 5^-monophosphate 0.9099 0.0343 0.2035 1.0000 0.0343 0.3970 0.0640 0.0343 0.0343 0.2080 0.3221 17.3343 4.2701 3.9017 1.8492 0.1301 0.1181 3.1183 0.0343 0.2307 0.0462 0.2862 0.9576 0.3032 0.0808 0.5308 0.0343 0.0343 4.5541 0.0343 9.3990 1.2880 3.0362 1.2623 0.2298 0.6838 0.6806 1.1374 1.1630 0.4333 0.2684 0.7476 5.1461 5.1942 10.6470 15.7447 6.4587 1.8380 11.6166 2.5315 0.5054 0.3706 1.0553 1.2161 0.5017 0.6104 1.0283 2.2788 0.9878 1.3050 0.6118 0.7936 18.9324 19.4159 14.1529 2.3632 2.1785 1.9510 0.0554 0.5454 0.0343
2^-deoxycytidine 1.4203 0.0032 0.1091 0.9890 0.2393 0.1461 5.6540 0.7410 0.1704 9.0846 11.2692 7.3839 3.5172 2.7973 1.4791 0.0406 0.0406 0.1717 0.2670 0.1753 0.1221 0.3545 0.1772 0.2349 1.3101 4.0372 0.5313 9.1015 11.8624 4.8108 6.6192 1.0000 2.8971 0.3059 0.0137 0.2185 0.5617 1.0086 0.7572 0.5726 0.6232 4.7706 3.1153 9.0750 2.1582 2.2799 7.6914 0.9700 5.6353 1.8860 0.0115 0.0111 0.0255 1.4027 0.7173 0.3694 1.1339 0.8642 0.9515 10.5952 10.8051 4.2325 5.8862 3.6957 7.6443 2.1047 1.2410 1.2455 0.0149 0.0074 0.0062
2^-deoxycytidine 5^-monophosphate 0.9500 0.0240 0.2370 0.8893 0.1354 0.4376 0.1827 0.0822 0.0240 1.1140 1.6175 24.9597 5.6660 5.5300 2.6553 0.0915 0.0649 2.1180 0.1005 0.4411 0.0836 0.4477 0.9290 0.3305 0.1459 0.7933 0.0731 1.1237 9.8906 0.1968 13.0007 2.0226 3.7137 0.8982 0.0678 0.5437 0.8851 2.0794 2.1064 0.5777 0.3798 1.8736 7.0238 10.9246 13.0952 16.3724 13.4154 2.9513 15.3738 3.4724 0.2079 0.1787 0.5092 1.0500 0.5329 0.5934 0.9311 2.2306 0.7422 4.4670 2.9090 2.3102 26.6479 23.3793 22.0504 3.4122 2.9011 2.5097 0.0240 0.1711 0.0240
2^-deoxyguanosine 5^-monophosphate (dGMP) 0.4867 0.1116 0.1116 0.3720 0.1116 0.2480 0.1116 0.1116 0.1116 0.1116 0.1116 13.2626 3.5798 3.6693 1.8531 0.1199 0.1500 4.1475 0.1116 0.1116 0.1116 0.1116 0.5497 0.1470 0.1116 0.2382 0.1116 0.1116 2.5834 0.1116 8.0417 1.4333 2.2351 1.2028 0.2817 0.2534 0.3845 1.1334 1.0000 0.1646 0.1116 0.1758 2.3435 1.9239 7.1292 14.3810 2.7040 1.8225 10.3308 1.6240 0.7139 0.5616 1.3559 0.4648 0.1116 0.3132 0.2982 0.9328 0.3012 0.3841 0.2408 0.2447 16.6519 16.6870 5.6830 2.1635 2.0706 1.7040 0.2255 0.4360 0.1116
2-hydroxyglutarate 2.7224 0.1196 0.7340 0.8477 0.1196 0.4724 0.5465 0.6376 0.3523 0.3056 0.4133 0.5492 1.5764 1.4759 1.8437 1.0423 0.5311 0.6026 0.6240 0.6797 0.5159 1.0000 0.8092 0.4413 0.4025 0.5544 0.6912 0.2191 0.6903 0.1196 1.3514 3.9123 1.4327 1.1190 1.2507 0.9801 6.3828 3.3592 9.3111 1.2567 1.7747 0.6575 0.5342 0.8188 0.7036 0.7286 1.0531 2.4412 2.1347 2.0944 3.2341 4.1262 3.2674 4.1528 5.2529 8.5201 1.2675 1.0680 1.6416 0.4524 0.5714 0.3795 1.0700 0.9635 0.7141 1.0572 1.9327 2.2711 1.7979 3.0027 0.9673
2-hydroxyquinoline 37.4264 0.2243 1.0903 6.9120 0.4604 0.9233 0.6189 0.5137 0.5476 0.5800 0.6471 0.5788 0.4307 0.8391 0.5297 1.5541 0.7371 1.6877 1.2287 0.9314 0.4926 0.9798 0.9615 0.5878 0.5892 0.5445 0.6090 0.5604 0.4384 0.4875 0.6243 0.8139 0.5304 1.9969 1.5038 0.8130 33.8525 19.2443 23.9055 3.9696 7.3508 1.4684 1.7686 1.4560 1.1580 0.5458 1.1285 0.7500 0.5787 0.6904 2.8111 3.7855 2.0786 22.0973 29.5360 32.6179 7.7629 4.8225 6.6577 2.6284 1.4563 2.4732 1.0000 1.3430 1.1150 0.7198 0.9264 0.8018 2.8814 3.9430 1.1059
2-methylbutyrylcarnitine (C5) 0.4149 0.4600 1.6084 0.9657 2.4283 0.9584 0.5889 0.4008 0.2853 0.7791 0.5449 1.1414 1.9906 0.7398 2.4667 0.7478 1.8774 1.4188 2.9886 2.9084 2.8687 1.3779 2.8707 1.7096 0.2853 0.6821 0.3516 0.3060 0.9998 0.2853 0.9358 1.2365 1.0002 0.5137 0.2853 0.9646 0.2853 0.2853 0.2853 0.5054 0.2853 0.8434 0.5976 1.6838 0.6561 1.1479 0.8491 1.3631 1.6393 2.0326 0.2853 1.3436 0.6122 0.2853 0.2853 0.2853 0.7279 1.3240 1.1959 0.7295 1.4268 0.6090 1.0096 0.9024 0.7236 1.4939 2.2024 1.9713 1.3421 0.7606 2.4309
2^-O-methylcytidine 0.6867 0.3138 0.6649 0.5897 1.7150 0.6288 1.0287 1.0040 0.4888 1.4137 1.0190 0.5718 3.0282 2.5669 4.1635 0.4046 0.4603 0.3099 1.7393 1.2201 2.0081 0.9960 0.8452 1.1133 0.4442 0.8944 0.5045 2.1911 1.9009 0.6385 3.1824 1.5975 3.6207 0.5733 0.1225 1.0043 0.4136 0.4372 0.3665 0.4904 0.3279 1.2276 1.3962 1.1848 2.1454 2.1170 1.2062 1.9613 2.5024 5.4737 0.1758 0.2842 0.5778 0.1925 0.1673 0.3678 0.0299 0.3343 0.3970 1.3320 2.9544 1.2802 0.3333 1.1381 1.4358 3.7422 5.3453 4.4441 0.2880 0.1719 0.0299
2-oxoarginine* 1.9684 1.0058 1.9194 0.7384 4.1542 0.7248 1.0905 1.2377 3.5094 2.4189 1.4602 0.5812 0.8332 0.6921 0.3154 0.3579 1.0000 0.2036 9.3538 4.9513 6.6018 1.8013 3.4650 2.0568 1.1981 4.7658 2.4512 1.4180 1.6668 0.9231 0.7111 0.6420 0.9654 0.8791 0.4445 0.4082 1.2495 1.0520 1.2518 0.4747 0.3599 2.1317 2.2140 1.1658 1.2135 2.4326 0.5925 0.5062 1.6486 0.4164 0.9990 0.2018 0.2802 0.4514 2.3116 1.3167 0.0548 0.4295 0.4755 1.5901 1.1251 1.0772 0.7113 0.6187 1.1852 0.6002 0.5845 0.6597 0.3633 0.1743 0.0510
3-amino-2-piperidone 1.9449 0.4107 1.5442 1.7331 0.6007 1.1624 0.8224 0.4312 0.4541 1.0000 0.9983 1.4217 0.6901 0.7256 1.1010 1.6653 1.0055 1.4991 1.5953 1.0756 0.9590 1.0534 0.8026 0.7472 0.4683 0.4108 0.4343 0.6903 1.2584 0.9125 1.5623 1.2928 0.8171 3.5842 2.8451 2.3238 0.6261 0.7102 0.7274 0.6005 0.6373 1.0652 0.8285 0.8477 1.8442 2.9586 1.0551 1.0659 2.2920 0.9394 3.0293 1.5036 1.5047 0.9075 0.8754 0.7606 1.0858 1.0684 0.7078 0.6664 0.5569 0.8419 0.5451 1.0459 2.0308 1.2266 0.8253 1.2658 1.2658 1.2264 0.3031
3-aminoisobutyrate 6.8364 0.7782 8.5441 5.5151 1.8091 5.5957 0.1006 0.1336 0.1006 0.1006 0.1006 0.1006 0.6341 0.1326 0.6562 0.5257 0.6503 1.0241 6.2987 12.0673 4.7616 3.3882 9.1548 2.6231 0.1006 0.1006 0.1006 0.1006 0.1006 0.1006 0.3531 1.5285 0.4312 0.9759 0.7455 0.5855 1.0258 2.4729 2.9355 1.1779 2.3543 0.1006 0.1006 0.2402 0.1006 0.2522 0.1006 0.5879 1.2214 0.7040 2.3198 1.5491 1.1993 1.6278 1.0872 0.7773 3.1014 4.7771 1.2086 0.1387 0.1006 0.1254 0.6962 0.2153 0.1317 0.3015 0.8374 0.8325 0.6620 1.8644 0.3420
3-methylcytidine 0.2527 0.2824 1.0458 0.1314 1.2644 0.4966 1.2029 1.5156 1.7024 0.9905 1.5038 1.3070 1.4142 2.1085 1.8764 0.0797 0.2935 0.0622 2.4003 1.2725 1.7828 1.2920 0.9644 1.0095 1.3462 2.1604 1.4897 1.0441 1.3987 1.3373 1.6238 1.4107 1.9776 0.2767 0.0467 0.5892 0.0441 0.0441 0.0441 0.0441 0.0441 0.1542 0.0441 0.4256 0.3295 0.2808 0.4212 0.8607 0.9043 1.1501 0.0441 0.0441 0.0441 0.1176 0.0441 0.0441 0.0441 0.0441 0.0441 0.3119 0.2934 0.0441 0.7767 0.7064 0.2695 0.9840 1.0412 1.5315 0.0441 0.0441 0.0441
3-methylhistidine 1.3300 0.0403 2.0964 0.3266 0.3760 1.1472 0.8539 0.6858 0.2765 1.2245 1.0000 1.4383 1.9811 1.5200 1.5835 0.0817 0.0860 0.1225 1.8657 1.6562 0.7469 0.4689 0.8671 0.2987 0.2128 0.7925 0.3864 1.1894 1.7853 0.7495 1.1605 1.4473 1.1879 0.7415 0.1582 0.2826 1.3095 0.8031 0.9145 0.2973 0.5809 1.4870 0.9488 1.9962 0.9600 1.1622 1.8159 1.7487 1.3083 1.4621 0.2599 0.1161 0.2004 1.0973 0.9281 1.0748 0.2309 0.6248 0.3825 2.4044 2.4568 1.5429 2.6485 1.9219 1.0331 1.1774 1.9171 1.2677 0.0403 0.2809 0.0403
3-ureidopropionate 1.0118 0.7567 5.1212 0.7516 0.9255 3.5637 0.2065 0.3968 0.0891 2.1001 0.2199 3.2041 1.2953 0.7765 1.0510 1.3107 1.3864 1.5535 1.6052 4.3523 1.4767 0.9220 3.2682 1.0496 0.1025 0.1507 0.1481 0.2039 1.3478 2.3214 0.6258 1.2298 2.9146 0.5354 1.9948 1.9171 0.5156 0.2621 0.3230 0.1239 0.1378 1.0000 1.5990 0.7427 1.5160 0.7194 1.4233 0.9014 0.8651 0.9876 0.2050 1.2368 1.2563 0.3951 0.6346 0.9163 0.3014 0.5675 0.2662 3.5949 0.9569 1.5176 1.4961 2.4933 1.6094 4.5453 1.0739 1.2499 1.4666 0.9853 0.4396
4-guanidinobutanoate 1.3175 1.2397 3.0057 0.3128 2.9215 2.0148 0.7641 1.3848 2.4462 0.7906 0.2480 0.5559 1.8993 0.6519 1.2251 1.3343 1.1478 0.4157 8.6435 5.6055 5.0870 4.8639 3.2749 2.8012 1.2867 2.4959 0.7079 0.3772 0.7873 0.2697 0.8709 3.9366 0.8159 2.2154 2.0406 1.0986 0.5071 0.5141 0.5148 0.2055 0.2517 2.2985 1.0516 0.6864 0.7352 2.7368 1.0264 1.5574 4.4037 1.6051 3.6597 0.6323 0.6788 0.5576 0.9334 0.6690 0.3892 0.3209 0.2926 1.0000 0.5054 0.8118 0.8629 0.3306 1.1709 1.2826 0.7811 2.2673 1.2651 0.2963 0.1578
4-imidazoleacetate 1.4218 0.4871 1.2672 0.7943 1.1103 0.9071 0.8671 0.8676 0.5628 0.3684 0.3814 0.2572 0.5138 0.5206 0.2572 1.3495 1.0652 0.7320 1.5893 1.7042 1.6126 1.3314 1.3520 1.3408 0.8939 1.0625 0.5793 0.2572 0.4807 0.2572 0.4566 1.7290 0.7414 2.1382 2.2467 1.3033 0.9620 1.3513 1.0810 0.6573 0.8242 1.5238 1.8510 1.7394 0.6600 1.0380 0.7357 0.5245 1.4941 0.7821 3.5307 1.3266 1.2174 1.5114 1.1518 0.9232 1.3629 1.4749 0.6985 1.3269 1.5587 1.7587 0.3799 0.4939 0.6632 0.6211 0.6837 0.5785 1.4391 0.9045 0.3280
5-(2-hydroxyethyl)-4-methylthiazole 0.9307 0.1449 0.1449 0.2378 0.1634 0.2625 0.7780 0.5075 0.1470 2.4013 1.5974 5.8145 1.8041 1.1443 3.1341 23.2395 8.9392 0.6483 0.1964 0.1449 0.1449 0.3226 0.1540 0.3680 0.7273 0.3301 0.2394 8.0555 2.4458 1.4863 2.8049 0.9305 1.1974 34.4478 34.2536 6.1298 1.1319 0.4168 0.1449 0.1653 0.3000 0.5415 0.5310 2.0634 2.0587 3.1972 2.0307 1.1916 1.8756 0.9180 54.0438 6.6422 7.6946 0.5001 0.3157 0.8771 0.2796 0.1580 0.1640 0.7152 0.6613 0.4346 2.5840 3.0810 2.9054 1.4453 1.3659 1.0812 20.9042 1.0000 0.8326
5-aminovalerate 8.5774 0.2694 0.2328 10.3323 1.1031 0.2256 0.2813 0.2367 0.1933 0.1191 0.0699 1.3182 0.4063 0.1699 4.0265 0.9581 0.4911 14.1879 5.3357 0.5778 0.2999 2.6852 0.4231 0.1350 0.2738 0.6925 0.1954 0.1417 0.0699 0.0699 0.3114 0.6892 0.1062 1.0338 0.3662 0.0699 48.2780 23.9931 30.7695 22.7881 14.6484 0.6335 0.5352 1.1330 0.6106 1.3475 1.0983 1.6570 1.2003 2.7433 3.5388 4.8702 10.7231 28.3495 32.0730 37.0948 17.8820 30.9973 15.9220 0.6327 0.2624 0.4936 0.2490 1.3349 0.4010 1.1235 3.2822 0.9662 2.8427 6.8019 0.5648
5-(galactosylhydroxy)-lysine 1.2270 3.2830 8.7371 0.4309 5.4103 4.4179 1.7345 6.4467 5.3965 3.9835 3.3432 0.6954 1.2269 1.0000 0.7098 1.4579 2.0796 0.3441 9.4019 9.6471 7.0865 4.1005 4.6837 3.5125 6.2260 4.8075 3.9347 2.8274 0.6580 4.1323 1.0634 0.6061 1.2828 1.7330 0.1022 2.2113 0.1022 0.2697 0.4306 0.1022 0.1789 2.4451 1.6852 1.5683 0.5023 0.7223 0.9017 0.7443 0.4027 0.1022 0.1022 0.3824 0.1662 0.5602 0.5732 0.5651 0.2253 0.2379 0.2268 1.9268 0.9090 1.4466 0.9567 0.7267 0.8426 0.4947 0.5826 0.7715 0.4668 0.3080 0.5650
5-hydroxyindoleacetate 0.4938 0.3249 0.3249 0.9177 0.3249 0.3249 0.8517 1.2456 0.3249 0.9008 0.6702 0.3249 4.8627 1.2498 2.8824 0.3249 0.7124 0.3249 0.3249 0.3249 0.3249 0.3249 0.3249 0.3249 0.4838 1.1712 1.5918 0.3249 1.2019 0.3249 2.4836 2.1860 0.9539 0.3249 0.7534 0.7093 0.3249 0.3249 0.6703 0.7394 0.3249 0.3249 0.3249 0.5874 1.0461 0.3249 0.3249 3.1164 2.6067 3.6397 0.3421 1.5019 0.7701 0.7225 0.3249 0.5567 0.6119 0.3249 0.3249 0.3249 2.8368 0.3249 4.0070 1.1769 0.3249 0.3249 10.2057 1.3880 1.1022 0.3249 0.6738
5-hydroxylysine 0.8949 0.5993 1.4643 0.4950 0.9866 0.6296 1.0696 0.7276 0.2836 1.1125 0.6976 1.1488 2.7829 1.3035 2.5241 0.4238 0.8690 0.2791 2.9622 2.2487 4.0736 1.4360 1.0867 1.7223 0.4361 0.7517 0.5927 0.7203 1.6718 0.5782 1.5098 2.3269 1.6754 1.1826 0.0675 1.5924 0.8943 0.9151 0.6513 0.5593 0.4755 0.9518 0.8212 1.2634 1.2893 1.2872 1.1525 1.9424 1.8826 2.0554 0.2326 0.5140 0.5076 1.0768 1.0000 0.9866 0.8890 0.9644 0.5499 1.3347 1.3670 0.7560 1.6921 1.2498 1.3058 1.4373 2.0430 1.8716 0.1712 0.5062 0.0611
5-methyl-2^-deoxycytidine 1.1328 0.1545 0.5876 1.0610 0.8524 0.6516 2.6369 0.4416 0.3733 3.6055 4.4900 2.2605 1.2557 0.6931 0.6729 0.4269 0.2803 0.3002 1.3518 0.9257 1.2099 0.7004 0.5849 0.8582 0.8430 1.3237 0.2772 3.8392 3.7842 2.0318 2.1355 0.6237 0.7328 0.7722 0.0753 0.7129 1.0000 1.4454 1.1546 0.8986 1.0693 2.3078 1.4366 3.0470 1.1415 1.4394 2.7149 0.5207 2.3081 0.6551 0.3574 0.3221 0.3615 1.1443 1.0700 1.1041 0.9822 1.1733 1.1967 4.8093 5.0210 2.2163 2.7811 1.5439 2.4705 0.6377 0.5998 0.5945 0.1133 0.3997 0.0271
5-methylcytosine 0.9816 0.2060 1.8579 0.9701 0.7415 1.4684 0.5274 0.3725 0.4245 0.6501 0.4999 0.3119 0.3288 0.3351 0.3171 0.9585 0.7148 0.3988 1.6654 1.0894 1.0473 1.1183 0.6807 0.8152 0.4654 0.5541 0.2892 0.2727 0.5968 0.4623 0.6639 0.6070 0.3476 1.9493 0.7019 1.0339 0.5475 0.9602 1.3057 0.7751 1.6765 2.1618 2.0692 2.1316 3.2366 2.4887 1.6020 0.7308 1.1692 1.0016 1.9377 1.4825 2.5246 1.0000 1.1397 1.4216 1.3519 2.0918 1.4392 2.1249 2.5684 1.6645 1.4318 2.1873 2.1715 2.1322 0.6352 0.4705 2.0832 1.1910 0.2209
5-methylthioadenosine (MTA) 0.6808 0.1038 0.1038 0.1038 0.5214 0.1038 2.2432 2.6682 1.5526 1.5305 1.9701 1.7234 1.9050 1.4602 1.2987 0.1038 0.1848 0.1038 1.4002 0.1038 0.9981 0.7063 0.1038 0.3034 2.0352 2.9247 2.7497 1.6933 1.7285 1.5087 2.0780 0.6709 1.3598 0.1038 0.1917 0.1038 1.5582 0.1038 0.1038 0.5878 0.1038 0.5181 0.5232 0.8274 1.1059 0.4387 0.1038 0.9322 1.2559 0.5401 0.1225 0.5493 0.1354 0.1038 0.1038 0.2186 0.1038 0.1038 0.1038 0.8803 0.6043 2.8010 1.0000 1.4678 1.6706 0.3387 2.0890 1.7121 0.3380 0.9354 0.7894
6-hydroxydaidzein 0.8123 1.0721 11.3955 0.4743 4.0171 12.4296 0.5850 1.4978 0.7347 1.4272 1.1320 0.1204 0.1204 0.5212 0.1204 25.2128 15.5940 1.6418 2.1151 6.7240 3.1240 2.4573 6.2472 3.2504 0.7541 0.6472 0.8661 0.7686 0.1204 0.6251 0.1722 0.1204 0.1672 4.3104 1.6434 4.4124 0.8638 1.0814 0.8279 1.9393 1.0000 0.6324 0.4559 0.3207 0.6033 0.7813 0.4579 0.1204 0.4611 0.1204 5.8682 4.1517 7.0348 3.2646 0.7775 0.9267 5.9838 4.8315 1.1739 0.4869 0.3529 0.5148 0.1204 0.1204 0.1763 0.6425 0.1204 0.1204 5.3250 2.7644 0.9495
7-methylguanine 0.5380 0.4212 3.8470 0.1980 2.2946 3.3561 1.3426 1.6211 1.4757 1.4257 1.4596 0.8081 0.4200 0.5382 0.4673 1.0000 1.1905 0.4199 3.8052 4.0892 2.9304 2.7260 3.7334 2.1068 1.3666 1.4835 1.1687 1.2931 0.9396 1.5111 0.8560 0.3723 0.7007 1.3737 0.3342 1.4991 1.1855 0.8685 0.8126 0.4648 0.8873 2.1159 2.4072 2.0038 2.3930 1.5895 1.1746 0.6269 0.8732 0.5522 0.5894 0.5360 0.6861 0.2114 0.5365 0.9037 0.2656 0.3290 0.5538 1.9516 1.4775 2.9373 0.7235 2.1650 2.0953 1.0219 0.8840 0.4361 0.3416 0.3333 0.0513
acetylagmatine 2.3026 0.2619 2.1694 2.5084 1.5883 2.3981 1.1196 0.6067 0.8036 0.2619 0.3515 0.4779 0.2619 0.2619 0.2619 0.2619 0.2619 1.3157 2.1535 1.9631 1.8736 1.6212 1.6190 1.4185 0.5996 0.9118 0.2619 0.2619 0.2619 0.4332 0.2619 0.2619 0.2619 0.9881 0.2619 0.2619 0.2619 0.7986 0.2619 0.2619 0.8492 1.1798 1.0119 0.2619 0.5664 1.7653 0.2619 0.2619 0.6271 0.2619 0.2619 0.2619 0.2619 1.4134 0.3189 0.2619 1.3594 0.7599 0.6943 0.8524 0.2619 0.2619 0.2619 0.2619 0.6779 0.2619 0.2619 0.2619 0.2619 0.2619 0.2619
acetylcarnitine (C2) 0.3728 0.0689 0.7623 0.8391 0.4913 0.4151 1.2498 1.2914 0.4364 1.8203 1.0232 2.6556 4.2123 2.5649 4.2217 0.6655 0.9336 1.4479 0.2582 0.2984 0.2169 0.3053 0.8835 0.6392 0.2988 0.8917 1.3412 0.9710 1.5986 1.0000 1.9668 3.1426 3.3657 0.1346 0.4216 0.4755 0.0886 0.1042 0.0831 0.2086 0.3319 1.5016 1.3943 3.6628 1.5339 1.5773 1.7918 2.0645 2.8516 2.9425 0.1220 0.9533 0.4956 0.2862 0.2480 0.2071 0.8542 1.0305 0.7628 1.8614 1.7592 1.7317 1.7272 1.9023 1.8256 2.3839 2.9251 3.8994 1.2460 0.7527 1.6172
adenine 3.1918 0.0805 1.5619 2.4200 0.2349 1.2247 0.2070 0.1090 0.1099 0.2592 0.3588 2.2235 1.1593 1.0080 0.7499 1.2666 2.0010 0.8854 2.2942 2.0882 0.5224 1.6685 1.6872 0.5177 0.1892 0.1955 0.1186 0.4524 1.1375 0.1750 1.1712 1.5591 0.8701 2.1206 4.7405 1.1418 0.8067 0.3843 0.3428 0.6371 0.5499 0.4240 0.7415 1.0000 1.2198 2.4448 1.2237 2.4868 1.8975 2.0004 1.6825 1.9338 0.6630 0.3054 0.2817 0.3802 0.4999 0.7896 0.4807 0.5451 0.4347 0.4750 2.2842 2.6329 2.1017 1.1715 2.3872 1.4273 2.3448 0.8177 2.4243
adenosine 19.0505 0.1906 2.0254 4.7980 0.7793 1.8702 0.6040 0.4724 0.5123 0.6867 0.7514 0.8121 1.6747 1.3639 1.1810 0.2095 0.4341 1.0004 1.4034 1.0390 1.4272 1.1012 1.0205 0.7539 0.7636 0.6623 0.4742 0.6303 1.0204 0.4367 0.8698 1.1260 0.8256 0.3832 0.0956 0.4306 3.3257 1.3692 1.2438 1.2842 0.3788 0.8326 1.0189 1.3102 1.2806 0.8783 1.0550 1.9089 0.9238 1.2109 0.3502 0.8272 0.4274 1.1118 1.2373 1.8812 0.5352 0.2952 0.5713 0.7014 1.0000 0.9397 1.0192 1.6596 1.0985 0.8228 2.3376 1.7775 11.8826 0.7885 33.4277
adenosine 5^-monophosphate (AMP) 2.8080 0.0243 0.7507 0.8903 0.0462 1.1716 0.0804 0.0243 0.0243 0.2017 0.2869 0.9217 1.2093 1.9366 1.5263 7.0942 16.5014 2.9217 0.0544 0.1409 0.0243 0.1094 0.2479 0.1818 0.0243 0.0308 0.0243 0.1777 1.0150 0.0613 0.8949 1.2639 1.0051 1.5715 10.1121 0.4075 2.6285 0.5249 0.4622 0.9828 0.2278 0.2037 0.4559 0.9473 2.7768 2.6119 1.2706 2.0713 1.6780 1.5084 8.5656 29.3795 20.0346 0.2730 0.4778 2.4745 0.1971 0.5436 0.9949 0.3250 0.5390 0.2468 1.0098 1.7697 2.7527 1.6199 1.9516 1.7767 41.4304 35.2381 40.7368
adipoylcarnitine (C6-DC) 0.8118 0.1125 0.8168 0.5645 0.4819 0.2823 0.4693 1.2990 0.2861 1.5950 0.6365 1.8827 8.3834 3.0804 6.1128 0.1125 0.1125 0.1125 1.1372 1.0832 2.3080 0.4653 0.5203 0.8904 0.4951 0.9168 1.1517 0.6300 1.4410 1.5093 2.1509 6.2694 5.3617 0.1125 0.1125 0.2033 0.1125 0.1125 0.1251 0.1125 0.1125 0.1125 0.1125 0.1125 1.1561 0.4464 0.6882 6.4215 4.2927 5.0696 0.1125 0.1125 0.1125 0.2682 0.1125 0.1125 0.3114 0.1125 0.1125 0.4033 0.3544 0.2100 2.3887 0.1125 1.4734 1.9221 5.3146 4.5527 0.1125 0.1125 0.1125
agmatine 9.1944 0.1786 2.1465 2.8731 0.6629 1.2170 0.6353 0.4543 0.6596 0.4387 0.4897 0.2646 0.2236 0.2067 0.2456 7.1282 2.5500 1.8571 5.7856 1.8856 1.5190 2.3483 1.5468 0.8813 0.6467 0.4127 0.3745 0.1786 0.2665 0.3611 0.4138 0.8378 0.2463 11.9927 14.9333 3.3053 1.0647 1.4548 1.9007 1.2197 1.0266 1.1190 0.4844 0.4154 0.4494 2.0299 0.3541 0.1786 4.4456 0.6218 13.9212 42.9168 15.9530 2.4889 1.5906 1.0000 1.6642 1.4714 1.1432 0.5472 0.3615 0.4761 0.2644 0.4912 0.5187 0.7860 0.3088 0.2525 13.3126 14.7431 4.2719
ala-leu-ala 1.1949 0.0587 0.3104 0.9765 0.2172 0.6088 0.3810 0.0587 0.2122 0.2537 1.2546 1.0059 0.9278 1.6561 2.5489 0.6893 0.3056 1.3425 0.1696 0.0587 0.2512 0.4307 0.7452 2.0034 0.1157 0.0587 0.1720 0.5587 1.7679 0.5548 2.5718 0.9872 1.0310 1.4255 0.0587 1.0639 1.7304 2.5704 2.7311 1.0558 1.0848 0.8519 1.5747 1.2873 3.7938 1.9102 0.7522 0.4184 2.9804 1.3242 0.1232 0.3509 0.2209 6.4346 3.9500 3.1958 2.5731 2.5466 1.7087 0.6896 0.2987 0.3948 0.3971 1.0473 1.7817 5.9245 1.0000 1.6881 0.1424 0.5978 0.1087
alanine 1.1747 0.1470 1.2801 0.5572 0.2048 0.8985 1.6159 0.9184 0.3197 1.8993 1.6981 4.0876 3.5718 4.1158 4.3759 0.2374 0.2528 0.3013 0.7752 0.9052 0.3490 0.5007 0.6304 0.3130 0.6828 0.9301 1.0000 1.9611 2.9639 1.4918 3.7598 3.0976 3.2613 0.3596 0.0969 0.3578 1.0496 0.7658 0.8910 0.4451 0.6622 1.9953 1.6430 2.8812 2.1552 2.4596 3.1173 3.9332 2.9047 4.5610 0.2206 0.3822 0.3446 0.8410 0.9585 1.1633 0.4711 0.6351 0.5327 2.6267 2.2814 1.9898 4.4579 3.6495 3.3571 2.9098 3.8732 3.3610 0.1979 0.3923 0.1450
alanylhistidine 0.3627 0.0277 0.2758 0.3353 0.3804 0.4320 0.6178 0.6319 0.3072 0.8643 2.0419 5.0481 5.0071 4.3394 3.7673 0.7804 0.4722 1.0000 0.5806 0.2665 0.3756 0.5698 0.6147 1.7087 0.3296 0.9622 0.8755 2.5081 2.6443 0.5923 3.5482 3.6196 3.1532 1.3439 0.0886 1.1470 1.8073 1.3794 1.7069 0.5579 0.6164 0.7363 1.1662 1.9223 1.9944 1.8456 1.9136 5.4132 2.9535 3.8659 0.1565 0.4054 0.3800 1.4400 2.3452 2.5208 0.8011 0.9787 0.9668 1.7406 3.2659 0.9260 14.0335 2.9923 2.8301 4.5965 4.7440 2.8195 0.3196 0.3168 0.1903
alanylleucine 8.8781 0.0971 0.9448 3.1045 0.5122 1.2415 0.2685 0.2280 0.3189 0.2612 0.3329 0.7900 0.9175 0.8179 1.6384 18.9598 15.3158 21.7198 0.8851 0.8435 0.6992 0.9689 0.9042 1.1920 0.2608 0.2274 0.2001 0.2793 0.6162 0.1970 1.6370 0.9882 1.3216 19.3669 2.3350 10.2529 20.5332 25.6655 27.6602 7.3567 7.0337 0.4037 0.6245 0.3758 1.0939 0.9729 0.4370 0.4027 2.4500 1.2998 4.6652 12.7860 12.9528 35.2501 33.0247 29.0057 15.6658 7.6199 9.1867 0.4187 0.3194 0.3598 0.3491 0.6096 1.0000 5.3490 0.7766 1.4252 17.2997 17.0981 13.4483
alanyllysine 1.1240 0.0342 0.2582 0.6117 0.1364 0.3115 0.1579 0.1020 0.1322 0.1998 0.2543 1.4463 1.3379 1.6606 1.9477 1.5105 1.0599 3.4809 0.2859 0.2154 0.1904 0.2098 0.3468 0.2549 0.1476 0.1244 0.1141 0.3699 0.7273 0.1528 3.4148 1.0042 2.1518 3.6309 0.0455 1.9209 3.8428 5.3903 4.2396 1.2668 1.0648 0.3032 0.6112 0.7099 1.4044 1.5190 0.5391 0.6423 2.8969 1.8019 0.6382 1.0000 1.4784 7.8479 5.9719 5.9596 2.4460 1.5305 2.0361 0.4841 0.3625 0.2766 0.7774 1.2367 2.0012 5.9131 1.1169 1.9863 0.4080 1.3553 0.2497
alanylproline 2.2458 0.1175 0.5647 1.1707 0.5181 1.0008 0.7143 0.3662 0.2823 0.7138 0.6768 1.0064 0.7954 1.2756 0.8057 5.2775 2.4406 3.2677 0.3499 0.6761 0.1175 1.0000 1.4799 1.0278 0.5782 0.3031 0.3996 0.8314 0.5515 0.8263 0.9984 0.8321 1.0570 4.9273 0.1175 2.9560 3.3192 3.2606 2.7522 1.5615 1.0914 1.0191 0.6715 1.0908 0.7082 1.0100 0.9130 0.7935 0.8242 1.3184 0.8921 2.4316 3.4064 4.8607 3.6292 3.0738 3.2714 1.7108 2.0779 0.7799 0.5243 0.8926 0.7562 0.8929 1.1787 1.7288 0.7951 1.2664 0.5530 1.5378 0.4611
alpha-glutamylglutamate 0.5314 0.0150 0.2722 0.3251 0.2262 0.3232 0.8889 0.2241 0.1919 1.1082 1.5829 3.3269 2.7041 2.8943 2.3834 0.6930 0.5126 0.1958 0.3141 0.3112 0.1764 0.3553 0.4255 0.2568 0.3809 0.3806 0.4529 1.3748 2.9949 1.2597 3.1013 1.1357 3.6111 1.4464 0.0413 0.6178 1.0301 1.0000 1.0628 0.2454 0.4076 1.4264 1.7466 1.7657 2.9242 2.1736 3.9724 1.6678 2.9376 3.7998 0.0620 0.1949 0.1894 0.9504 1.1157 1.1515 0.4959 0.5077 0.5059 1.5223 1.8300 1.4125 1.8529 2.9768 3.4382 4.1374 2.4870 2.1367 0.5364 0.2253 0.5816
anserine 4.1391 0.7028 4.7908 4.0556 2.3878 3.1081 1.0921 0.9283 1.0596 0.7657 0.5084 0.1059 0.6679 0.1059 0.3973 0.8594 0.7742 1.3324 5.7562 4.2147 3.7834 3.1468 2.6212 2.3195 1.2943 1.0855 0.5764 0.2655 0.7582 0.5330 0.3743 0.4377 0.2838 1.0292 0.1059 1.4363 3.1264 2.5536 2.6508 2.8218 2.7473 1.0271 1.0000 0.5321 1.0187 0.8815 0.8257 0.3305 0.9184 0.6318 0.4016 1.1555 1.2641 3.3280 2.4929 2.8386 2.9635 2.3534 2.8459 0.5673 0.7374 0.9184 0.3571 0.5040 0.4643 0.4285 0.5844 0.4518 0.3479 1.3220 0.1415
anthranilate 1.7073 0.6539 1.5016 1.2747 0.6712 0.8269 0.8335 0.4939 0.7461 0.8309 0.3241 0.2450 0.2450 0.2450 0.2450 0.8788 1.0967 1.0384 0.6898 0.2450 1.2470 0.6762 0.6433 0.9619 1.0381 0.6833 0.5957 0.2450 0.2450 0.2450 0.2450 0.2450 0.2450 1.4911 0.9375 1.1971 1.3750 1.2833 1.2335 1.2432 1.0941 0.2450 0.2450 0.2450 0.2450 0.2450 0.4317 0.2450 0.2450 0.2450 1.8078 0.8200 0.8982 1.2477 0.9900 1.1842 1.6759 1.0100 1.2387 0.2450 0.2450 0.2450 0.2450 0.2450 0.2450 0.2450 0.2450 0.2450 1.0957 1.1576 0.6021
argininate* 8.3407 0.8047 3.4680 6.4898 3.3916 2.6159 1.2040 2.0072 1.6992 1.8885 0.7634 1.2491 0.4038 0.2597 0.6831 0.5054 0.8663 1.2890 6.1163 6.9771 5.7449 3.2720 4.6241 3.4595 1.8205 1.5660 1.0116 1.0000 0.7064 1.9190 0.7814 0.3000 0.9089 1.1705 0.2205 1.6775 1.1063 1.2928 0.8954 0.5230 0.6172 2.1358 1.3610 0.9703 1.1039 1.6600 0.7589 0.2637 1.0690 0.3163 0.7088 0.5788 0.4872 1.0000 1.2404 1.4392 1.0842 0.3752 0.6111 1.5707 0.5570 0.8235 0.6798 0.6350 1.1862 0.7175 0.2804 0.2244 0.4444 0.5231 0.0523
arginine 1.0036 0.0383 0.2412 0.7429 0.2415 0.2164 1.3644 0.9025 0.4870 1.6394 1.6960 2.7612 2.6613 3.0268 2.7995 0.7757 0.5130 1.0299 0.4621 0.2103 0.2092 0.4481 0.3468 0.3814 0.7889 1.0194 1.0000 1.7082 2.3714 1.2719 2.6191 2.5408 2.6497 1.5659 0.2578 0.6517 0.5209 0.0720 0.4156 0.3754 0.2514 1.6578 1.7230 2.2868 2.0167 2.4738 2.2027 2.5453 2.5887 2.6735 0.7142 0.3979 0.4875 0.4166 0.2372 0.2105 0.6740 0.7627 0.3289 1.9624 1.8573 1.4755 2.4904 2.5807 2.5173 2.7498 2.6018 2.9114 0.3085 0.6362 0.0808
argininosuccinate 0.4656 0.2626 12.0510 0.3753 0.8626 8.2413 1.5056 1.3987 0.9188 0.9750 1.9649 0.9890 4.5988 2.3419 2.3091 0.6860 0.0539 0.0601 2.1806 0.9885 1.1078 1.1046 0.6026 0.5355 1.1970 1.9754 1.4531 0.7818 1.4979 0.7462 1.0747 7.9485 1.4688 0.4119 0.0539 0.1688 0.5644 0.3315 0.5529 0.2696 0.2511 1.5795 1.8460 2.5391 1.3654 2.9945 0.7445 6.4546 1.9867 2.2983 0.0987 0.0539 0.0539 0.4837 0.4649 0.3003 0.2662 0.3310 0.2891 1.4942 2.9938 1.5382 0.9276 2.1505 1.0110 1.4318 5.2308 3.1086 0.0706 0.0931 0.0663
ascorbate (vitamin C) 0.6008 0.4992 2.1773 0.4421 1.7198 1.7020 0.3972 0.7603 0.8110 0.7736 1.3446 74.0331 176.6303 120.1553 165.1004 0.4142 0.2264 0.2051 3.4262 1.2441 2.5038 1.4688 0.7872 1.2522 0.8198 0.9090 0.6561 3.8189 21.3005 1.5405 82.6089 184.7299 107.9107 0.8637 0.3897 0.9650 0.3230 0.4427 0.0756 0.0756 0.2920 1.0601 0.9087 1.0000 13.5753 32.6085 2.1961 119.7738 61.5072 70.3108 0.7469 0.4479 0.1095 0.4047 0.3728 0.3097 0.4475 0.0756 0.0756 0.8319 0.0756 0.1355 46.1875 39.4026 21.1943 79.3075 87.6558 128.6409 0.0756 0.2960 0.0756
asparagine 1.0000 0.2420 0.9549 0.4474 0.5331 0.5254 2.0603 1.0230 0.3293 3.1297 2.5711 4.7113 4.5477 5.1343 3.9528 0.3061 0.0918 0.0456 0.2020 1.4194 0.1257 0.1574 0.8895 0.1670 0.6773 1.3117 1.2667 2.6877 4.3679 1.7768 3.4940 3.3853 3.5379 0.1868 0.1702 0.1208 0.2855 0.0831 0.2569 0.0171 0.0262 1.8364 1.5274 2.6461 1.1870 2.1008 2.3952 3.7542 2.7611 3.3359 0.0161 0.0061 0.0060 0.2780 0.2937 0.5486 0.0400 0.0270 0.0285 2.6684 3.0845 1.6238 5.1101 3.3372 2.6835 2.3842 3.9802 3.5301 0.0416 0.0074 0.0454
aspartate 0.8665 0.2158 1.5438 0.3253 0.3468 1.0765 0.8431 0.5070 0.1360 1.2476 1.1819 2.2272 2.1669 2.3022 1.8382 0.2992 0.2406 0.1470 1.9667 1.1323 1.0262 0.8837 0.7465 0.5257 0.3076 0.6475 0.6393 1.2073 1.7749 0.7768 1.6098 1.4504 1.7133 0.4214 0.0442 0.4390 1.0615 0.7963 1.0000 0.3497 0.5449 1.2425 1.1895 2.2047 1.7555 1.6263 2.2757 2.3863 1.4732 2.3424 0.1607 0.1412 0.0736 0.6733 0.9051 0.9814 0.2995 0.4316 0.4376 1.6130 1.8856 1.2621 2.4934 2.8186 1.9088 1.1994 2.4049 1.5805 0.0800 0.1864 0.0643
aspartylaspartate 0.7223 0.4045 7.9283 0.6220 1.7478 3.3758 0.5388 0.8102 0.4242 1.1854 1.9721 2.7328 4.8449 9.9239 1.9714 0.3969 0.2606 0.0716 6.9393 8.3970 4.5608 0.7542 4.3521 1.0153 0.2628 1.0000 1.2238 1.2061 5.4606 0.7467 1.4906 5.4654 4.1860 0.4176 0.0519 0.5882 0.5582 1.0103 0.8933 0.1141 0.1756 0.5604 0.9684 1.3950 1.6180 3.3579 1.0735 6.0404 3.2700 1.8018 0.0803 0.0862 0.0336 0.3321 0.8812 0.5334 0.0543 0.2511 0.3270 0.7337 1.3782 0.7961 2.0591 4.7544 1.6669 1.9403 4.4691 4.7311 0.3290 0.0681 0.6444
beta-alanine 2.8757 0.3953 3.4419 1.6941 0.7524 2.2436 0.6016 0.0918 0.5826 0.8309 0.3402 0.3908 1.2692 2.7026 1.4481 0.4843 0.5006 0.6328 1.9449 2.9867 1.6185 1.2867 2.4527 0.8637 0.2967 0.6379 0.5810 0.4939 1.0622 0.2680 1.0262 1.7148 0.7796 0.6974 0.6542 0.2565 1.8517 1.9005 2.0351 1.4147 1.1245 0.5689 0.4280 1.0008 1.0075 0.7911 0.5946 1.0255 2.0260 1.4975 1.6528 1.2017 0.6761 1.6826 2.1825 2.4592 0.7391 1.2050 1.2408 0.6191 0.9380 0.4192 1.0000 0.6722 0.4317 0.7578 1.3534 1.2875 0.7232 1.5024 0.5399
beta-hydroxyisovaleroylcarnitine 0.8525 0.1053 0.3431 0.9583 0.1053 0.1053 0.4848 0.4910 0.1053 0.6164 0.4765 1.2075 3.5967 1.9909 2.9861 0.9806 0.8333 1.1348 0.1053 0.1053 0.1557 0.1053 0.1053 0.1053 0.1053 0.1829 0.3742 0.3790 0.6147 0.1053 1.2556 3.2769 2.2177 1.0776 0.4282 0.7687 1.0000 1.0711 0.4464 0.8711 0.8407 0.1053 0.6967 1.8810 0.8566 1.2008 0.1053 3.3641 2.6620 3.0300 0.4086 1.1585 0.7381 1.0315 1.1598 1.2885 1.0320 1.0678 0.9380 0.4067 0.9079 0.7325 1.3534 1.7267 1.4669 2.0442 3.1188 3.7182 1.1095 0.9319 1.1821
betaine 0.0396 0.0338 0.1055 0.1445 0.1782 0.0901 1.0749 1.4045 0.2802 0.6500 0.5253 1.5411 2.3656 2.2185 1.9065 1.5527 1.2619 0.6942 0.2101 0.1672 0.1497 0.1508 0.2495 0.1706 0.4189 1.0511 0.9095 0.7163 1.0208 0.5899 1.8518 3.9999 1.7389 2.3232 2.3438 0.8604 0.0321 0.1655 0.1306 0.0600 0.1028 1.2633 1.1036 1.4127 1.0002 1.2923 1.3336 2.6578 4.0692 2.0352 4.7319 1.0123 1.1762 0.2618 0.1823 0.0750 0.2196 0.2003 0.1696 1.3225 1.0000 0.8883 2.2368 1.5590 1.4703 1.6336 1.7502 3.0883 1.8366 0.7176 0.8007
betonicine 0.7335 0.8912 5.3303 0.6277 3.5289 3.2711 1.2041 1.6944 1.9510 2.0102 1.0305 0.7324 0.8216 0.5825 0.3409 0.9209 0.9522 0.2957 7.1769 5.2497 5.2345 3.2258 3.3240 2.6426 2.1423 1.9549 1.1116 1.1337 1.6859 1.3329 1.4102 1.6400 0.8746 2.0113 1.0784 1.3290 0.3327 0.6053 0.2900 0.2697 0.4126 2.7002 1.3491 0.9296 1.8261 4.1214 1.1557 0.4998 3.1953 0.5290 3.3011 0.3219 0.4828 0.4843 0.4113 0.3068 0.4418 0.3365 0.2427 1.4402 0.4402 0.7223 1.0000 0.3768 2.9213 0.7362 0.2379 1.0518 0.6982 0.1533 0.0422
biotin 2.3834 0.2975 4.2319 1.3923 0.7898 2.1855 1.0068 0.2975 0.2975 1.0069 0.9758 0.2975 0.2975 0.2975 0.2975 0.2975 0.2975 0.2975 2.9569 2.7836 2.3270 1.5553 2.0401 0.5957 0.9932 1.1691 0.2975 0.9766 1.5156 0.2975 0.2975 0.2975 0.2975 0.2975 0.2975 0.3663 0.2975 0.6532 0.9270 0.3493 0.2975 1.7107 1.0186 0.5014 0.9090 1.0284 0.9874 0.2975 0.3275 0.2975 0.2975 0.2975 0.2975 0.2975 0.2975 1.0614 0.2975 0.2975 0.2975 1.0298 0.2975 0.7367 0.2975 0.6745 0.8470 0.2975 0.5084 0.2975 0.2975 0.2975 0.2975
butyrylcarnitine (C4) 1.2365 0.1398 0.9327 4.8182 0.3415 2.0382 1.0090 0.1398 0.1398 0.1398 0.1398 0.9616 0.3150 0.2174 1.0275 1.3918 1.8952 6.1364 0.1814 0.2974 0.2432 0.2499 1.1718 0.3935 0.1398 0.1398 0.1398 0.1398 0.1398 0.1398 0.1398 0.9683 0.5915 0.1464 0.5391 0.5475 0.3696 0.4071 0.4126 1.2885 2.6021 1.2704 1.2971 3.5894 0.2145 0.5193 1.1388 0.7806 2.2778 0.7514 0.3122 7.1281 3.2992 1.6416 1.1640 0.7678 4.3569 7.1031 4.5958 2.4228 0.6104 1.1988 0.3165 0.5935 0.9910 1.0096 0.7813 2.4737 7.6765 5.4866 4.8637
butyrylputrescine/isobutyrylputrescine 1.4925 0.3260 3.4775 1.5670 0.8509 3.2233 0.3260 0.3260 0.3260 0.3260 0.9209 0.3260 0.3260 0.3260 0.3260 1.0726 0.4640 0.8615 3.5528 1.3623 2.4636 2.3524 1.1133 1.5327 0.3857 0.3260 0.3260 0.3260 0.3260 0.8775 0.3260 0.3260 0.3260 1.7639 0.3260 1.6653 0.9224 0.5368 0.4757 0.3260 0.3260 0.3260 0.3260 0.3260 0.3260 0.3260 0.3260 0.3260 0.3260 0.3260 0.3260 0.5370 0.4691 0.6155 1.1440 0.9274 0.3260 0.3260 0.3260 0.3260 0.3260 0.3260 0.3260 0.3260 0.3260 0.3260 0.3260 0.3260 0.6317 1.5624 0.3260
cadaverine 0.1459 0.1459 1.6893 0.1459 0.4089 0.7228 0.1459 0.1459 0.2889 0.1459 0.1459 0.1459 0.4592 0.1459 0.1459 2.3111 0.9567 0.2077 5.1849 1.0734 0.7498 1.1590 0.5793 0.1459 0.1459 0.1459 0.1459 0.1459 0.1459 0.1459 0.6373 1.3557 0.1459 4.4306 2.6205 1.1487 0.1459 0.3254 0.1459 0.1459 0.1459 2.4385 0.1459 0.1459 0.9049 3.0178 0.1459 0.1459 2.8428 0.4414 3.3389 1.6854 1.0433 0.3975 0.6229 0.1459 0.1459 0.9296 0.1459 0.1459 0.2738 0.1459 0.1459 0.1459 1.0507 1.1615 0.1459 0.2973 1.6081 0.1459 0.1459
carboxyethyl-GABA 10.7275 0.7309 4.7604 2.8955 2.3901 2.7721 0.8589 1.1280 1.1224 1.0000 0.9795 0.4308 0.1870 0.2801 0.1586 0.5542 0.5185 0.3105 4.7777 4.3633 4.2179 2.1841 2.7586 2.1791 1.4517 1.2224 0.8820 0.6166 0.5354 1.1862 0.5167 0.1255 0.5611 0.6996 0.1296 0.8726 1.9099 5.2055 3.7250 0.6353 1.7425 1.1486 1.5277 1.2183 1.4644 1.2546 0.3554 0.2162 0.6149 0.0777 0.4747 0.9823 0.1835 2.3890 3.9563 2.7573 1.0025 1.5226 1.1314 0.7892 0.4199 1.5368 0.2447 1.2760 1.3140 0.1889 0.4399 0.1189 0.1759 1.2501 0.0919
carboxymethylproline 3.9851 0.5530 3.0909 3.3031 1.1080 2.4712 0.9030 0.9658 1.0052 0.8565 0.8316 0.8710 0.1748 0.3389 0.3192 0.7438 0.6800 1.1618 2.5938 2.6216 2.1444 1.7306 1.6998 1.7713 1.1104 0.6283 0.6067 0.4967 0.4498 1.3853 0.5261 0.1861 0.7537 1.0393 0.1407 1.1987 3.2114 2.9329 2.4797 2.8646 2.4970 1.3383 0.8830 0.9762 0.9647 1.0000 0.9372 0.2292 0.4899 0.2747 0.4181 0.6800 1.0415 2.4229 3.1739 2.8418 2.6805 2.6033 2.9447 1.1520 0.4586 1.4898 0.2934 1.1581 1.0681 0.2590 0.2578 0.1017 0.1871 1.1380 0.0696
carnitine 2.4705 0.2963 1.2016 1.1211 0.6582 1.0039 0.7987 1.2313 0.7480 0.8327 0.8548 0.9600 2.7161 2.4551 1.8909 0.5369 1.0000 1.6444 0.9238 1.0722 0.6712 0.7489 1.1628 0.6513 0.5916 0.8548 1.1522 0.9259 1.1229 0.9322 1.6000 2.6763 1.7876 0.3657 0.4439 0.4916 0.4035 0.6024 0.4106 0.3361 0.4966 0.6529 1.0563 1.4698 0.9772 0.9423 1.1924 2.3385 2.0278 2.4839 0.2970 1.0234 0.5276 0.5006 0.3850 0.7279 0.8109 0.8664 0.7042 1.2599 1.1341 1.4088 2.1201 2.1971 1.4251 2.0284 2.1114 2.9733 1.3773 1.1807 3.3478
choline 0.1880 0.3930 0.5932 0.3258 1.0476 0.5482 1.0772 0.6422 0.2387 1.2667 1.1462 2.1834 2.1452 1.9768 1.8096 0.6196 0.7165 0.3202 0.8019 1.1482 1.0294 0.6261 1.0227 0.9110 0.5143 0.8013 0.7942 1.1144 1.7126 0.9103 1.6761 2.1056 2.0903 1.0000 0.7412 0.8398 0.1630 0.2537 0.2643 0.2270 0.3271 1.5508 1.0990 1.6698 1.2354 2.0545 1.3449 2.2760 1.7989 1.8826 1.2418 0.2424 0.3790 0.3212 0.3783 0.2885 0.3298 0.4294 0.3912 1.3078 1.4175 1.0443 1.7746 1.7655 1.9121 1.5366 2.0829 2.2228 0.4828 0.1243 0.1098
choline phosphate 0.8354 0.0174 0.3330 0.9523 0.1211 0.3667 0.5794 0.0772 0.0244 1.0133 3.0569 7.7785 3.8908 6.9165 1.2503 0.5801 1.0000 1.1429 0.0938 0.0711 0.0338 0.1983 0.3816 0.1638 0.0732 0.3232 0.2477 1.2395 6.4696 0.7042 2.5100 3.0945 3.1652 0.3554 0.1814 0.3350 0.0174 0.0615 0.0330 0.2274 0.1867 3.0427 2.9695 5.1253 6.0596 9.7663 8.2876 5.0609 3.8281 3.9568 0.4056 1.0820 0.5492 0.1268 0.2340 0.1686 1.0700 1.4528 0.7787 2.3558 2.7721 1.0000 11.0580 11.2806 8.6634 3.4262 3.6571 3.5053 1.6925 0.7879 3.0708
cis-urocanate 4.0201 0.5746 0.4293 1.5624 0.6516 0.9639 1.9019 1.5975 2.6371 1.1565 1.8848 1.6966 0.6657 0.5547 0.7209 1.1502 0.8410 0.6661 0.8776 0.7351 0.9252 1.1398 1.3203 1.0000 2.0751 1.2142 1.6872 0.9178 0.6552 1.9955 1.7107 0.2277 0.5761 1.3041 0.9092 1.9246 3.4541 2.5179 2.4095 1.1937 1.4928 0.8447 0.9866 0.7661 1.2216 0.7423 1.0898 0.8933 1.0491 0.8595 0.6140 0.5482 0.4320 2.2757 3.0266 4.8703 0.4890 1.0329 1.5878 1.1774 1.0074 1.8129 0.2936 0.8018 0.7211 0.3860 0.5308 1.3930 0.3053 0.2697 0.1695
citrulline 0.6670 1.1467 7.3999 0.5832 2.0573 6.0398 0.2348 0.1638 0.0521 0.1885 0.1323 0.3419 0.4503 0.3815 0.5902 2.5795 1.5997 0.8106 5.8544 6.6666 3.6238 3.3200 4.6961 1.8291 0.1543 0.1201 0.1322 0.2135 0.2429 0.2824 0.4840 0.5228 0.4107 1.7837 0.0814 2.2495 6.3070 9.7091 7.8032 2.4292 4.6090 1.1213 1.1059 1.5902 1.0389 0.6734 1.1814 0.7542 0.4949 1.1243 0.4431 1.1647 0.7054 10.0127 12.4561 11.8949 2.5932 2.6095 5.9639 1.1320 0.9263 1.4130 0.5401 1.6790 0.9029 0.6203 0.9836 0.5212 0.4378 1.0000 0.2242
creatine 0.3853 0.1210 0.6311 1.0581 0.6538 0.5407 0.8381 1.2762 0.4422 2.1126 1.6403 2.5322 3.9546 4.6949 3.0865 0.3551 0.3553 0.8284 0.4597 0.4252 0.3464 0.3411 0.8906 0.5173 0.5401 0.9281 1.2476 2.6061 2.6920 1.6377 2.5472 3.9813 3.7189 0.1735 0.2593 0.1817 0.0956 0.1398 0.1041 0.5079 0.6154 1.0205 1.2621 2.3843 2.0206 2.1673 2.1438 4.2732 3.2091 2.9740 0.1631 0.4951 0.2695 0.2080 0.2959 0.1960 0.8498 1.3832 1.2420 1.2271 1.6548 1.0000 2.5285 3.3876 2.1899 2.9640 3.3710 3.6427 0.6701 0.3957 1.0974
creatinine 4.1845 0.7744 4.3446 3.9222 2.7352 3.6065 1.5957 1.4141 2.3074 1.7854 1.2858 1.2312 0.5371 0.5387 0.7374 1.2287 0.9249 1.7410 4.6819 4.0678 3.6047 3.0199 3.2283 2.6448 2.1852 1.9830 1.0190 1.3017 1.5646 1.5234 1.0412 0.8080 0.8289 2.1529 1.0000 1.5811 0.0164 0.0389 0.0150 0.0314 0.0306 2.4672 1.0410 0.5552 1.3273 2.6631 0.5576 0.3484 1.5835 0.3032 1.6154 0.2659 0.2623 0.0223 0.0243 0.0287 0.0488 0.0495 0.0541 0.4248 0.1677 0.0926 0.5154 0.2546 1.7479 0.7481 0.2357 0.3655 0.6547 0.1011 0.0809
cyclo(his-pro) 5.0594 0.7497 6.5507 5.0065 3.8725 4.5005 1.9083 1.9559 2.3626 1.6612 1.4322 1.1365 0.3760 0.2406 0.6348 1.1832 1.0491 1.5965 8.6870 6.6235 6.7771 3.7625 4.2368 3.6532 2.4854 2.0863 1.1502 1.1032 0.9795 1.6662 1.0280 0.3049 0.7916 1.9225 0.3639 2.1042 0.9196 1.1470 0.9678 0.9259 0.8719 2.1590 1.5057 0.6486 1.1282 2.1009 0.7213 0.1032 1.3616 0.2302 0.8233 0.3841 0.4963 1.0000 0.9428 0.8512 0.8809 0.8598 0.8785 0.9217 0.3575 0.8862 0.3015 0.3624 1.2881 0.3359 0.1835 0.1534 0.2827 0.4049 0.0476
cystathionine 0.7857 0.5785 4.0600 0.7558 3.3262 2.9348 1.8561 1.8632 2.1379 1.6173 1.7889 1.0356 0.4670 0.9856 0.5479 0.6004 0.6164 0.2807 5.6992 4.9313 4.0598 3.4211 3.6677 2.0442 3.2335 1.7113 1.6095 1.5289 1.2094 2.1062 1.2715 0.3556 0.9928 0.9299 0.2807 0.8486 0.5785 0.8505 0.9079 0.6619 0.5843 2.6253 1.7123 1.0144 1.7935 1.5775 1.1402 0.3075 1.1995 0.8104 0.2807 0.4680 0.2876 0.9246 0.8079 0.7134 0.7741 0.7697 0.5879 1.6724 0.9171 1.2716 0.6131 1.0072 1.6423 2.1210 0.5316 0.4452 0.4511 0.2807 0.5711
cysteine 0.4600 0.1666 1.4869 0.3293 0.5487 1.0068 1.0753 0.9080 0.5174 2.1180 3.0632 37.8732 33.1187 32.4137 33.2359 0.1397 0.1551 0.1539 1.1503 1.4317 0.7227 0.6323 0.9165 0.3974 0.7054 0.8300 0.9072 6.2975 18.5675 1.5940 41.3098 24.0464 28.7547 0.1505 0.0359 0.1770 0.3788 0.3779 0.3952 0.3020 0.2578 1.0095 1.9633 2.2974 8.7299 13.9923 4.2097 24.5468 19.3748 17.2279 0.0359 1.7228 0.6474 0.3662 0.3717 0.4733 0.2152 0.2675 0.2744 2.4876 1.6671 0.9932 23.3171 26.5621 19.7371 28.4610 24.0674 26.3223 0.3989 0.5082 0.2668
cysteine-glutathione disulfide 0.0626 0.0626 0.0626 0.0626 0.0626 0.0626 0.0626 0.0626 0.0626 0.0626 0.0626 0.0626 1.3296 1.1319 0.6387 0.2136 0.5532 1.2906 0.0626 0.0626 0.0626 0.0626 0.3185 0.0626 0.0626 0.0626 0.0626 0.0626 0.2113 0.0626 3.6980 11.9282 2.3521 0.0626 0.1301 0.0626 0.0626 0.0626 0.0626 0.0626 0.0626 0.0626 0.3066 0.0626 0.5980 1.5655 0.0626 1.0223 5.6600 1.7228 0.0626 0.4414 0.1378 0.0626 0.0626 0.0626 0.0626 0.0626 0.0626 0.0626 0.0626 0.0626 0.0626 0.0626 0.0626 1.4094 1.2133 7.9546 0.4814 0.2827 1.0000
cysteine sulfinic acid 0.3899 0.3823 1.0000 0.4339 0.9356 0.7115 2.6277 0.6395 0.5316 2.0885 1.4961 2.4229 1.4462 1.9881 1.5347 0.1440 0.1757 0.2202 3.5408 1.4272 1.4858 1.9435 1.0365 0.9385 0.8654 0.9388 0.8019 1.4719 2.7915 0.9000 1.7592 0.8857 1.3679 0.7190 0.0415 0.4198 0.3182 0.4209 0.4240 0.4173 0.4230 2.9059 2.6361 1.4402 3.1653 2.2062 1.9672 1.7203 1.4056 1.6163 0.0947 0.0502 0.1107 0.3408 0.4000 0.3332 0.4952 0.5540 0.3730 1.5870 1.6438 1.4184 2.5629 2.1853 2.6268 1.5626 1.7670 1.0895 0.0423 0.0415 0.0415
cysteinylglycine 0.4092 0.1947 1.1932 0.6166 0.8152 0.9148 0.7853 0.8521 1.1891 0.7835 0.8749 0.9739 1.3166 1.5940 1.9614 0.2506 0.2830 0.8022 1.5298 1.1248 1.2895 1.0678 1.0646 0.9141 1.5625 1.1736 1.0836 1.0261 0.7969 1.2026 4.6321 4.4498 2.2846 0.4056 0.1646 0.4079 0.2330 0.3499 0.3454 0.2884 0.3573 1.2306 1.1000 0.9698 1.6680 2.2019 0.9394 1.2498 4.2825 2.5536 0.1646 8.4536 2.4476 0.6461 0.5798 0.3198 0.5730 0.5782 0.5172 0.8967 0.8077 1.0937 0.4858 0.9510 1.7090 5.7726 1.3399 3.8095 7.1361 3.6387 1.1109
cysteinylglycine disulfide* 0.1605 0.0548 0.2803 0.4831 0.7214 0.7538 0.0548 0.0548 0.0548 0.0548 0.1812 1.2071 1.9099 2.8346 2.8252 0.0548 0.0991 0.3042 1.3874 0.7590 0.7893 1.3994 2.7048 1.7149 0.0548 0.0548 0.0548 0.0705 1.9332 0.0548 4.1243 3.6691 2.7996 0.4520 0.0548 0.7634 0.0548 0.0612 0.1266 0.0548 0.1372 1.3884 1.1544 1.1945 2.3997 3.6171 1.5724 1.4762 4.8797 5.6463 0.0858 2.5211 1.2033 0.2563 0.3621 0.1216 0.2328 1.0000 0.2685 0.7746 0.8624 0.5125 0.9013 1.7315 3.0531 6.3744 2.4484 4.5028 0.6826 1.8953 0.1096
cystine 0.2297 0.1809 0.7459 0.1034 1.0907 0.6756 0.5413 0.0938 0.0386 0.0992 0.8490 6.8587 18.5685 43.3877 22.2632 0.0089 0.1201 0.0236 2.2176 2.8090 1.5609 3.1014 1.7612 1.7987 0.0872 0.3082 0.0089 0.7308 9.1907 0.1787 14.9324 23.5881 15.9275 0.2574 0.0089 0.0089 0.0411 0.0706 0.0429 0.0089 0.1892 3.1717 2.8175 10.3983 3.6827 11.7113 8.5066 45.0867 11.8633 31.2096 0.0089 0.0841 0.0794 0.1299 0.1704 0.1498 0.1735 0.2477 0.0925 4.9668 3.3830 0.9093 24.3070 19.0232 8.3282 8.7526 24.4440 25.0402 0.0089 0.0445 0.0089
cytidine 6.9452 0.0045 1.0000 3.6155 0.6149 1.2067 0.8231 0.5372 0.2362 2.4545 1.7054 0.6399 0.6782 1.2628 0.6496 0.3062 0.1516 1.3176 0.4154 0.3864 0.3082 0.4535 0.4127 0.5194 0.2907 0.4802 0.4928 2.3002 2.7240 1.3578 1.0651 0.2005 1.4119 1.5266 0.1224 0.5466 3.6771 1.8946 1.8295 2.1942 1.7476 1.5056 0.9231 2.0418 1.8880 1.6138 4.0234 0.3779 0.8974 1.3003 0.0829 0.0675 0.1177 1.4081 1.4596 2.8919 1.5328 1.3356 3.1602 1.7652 2.4875 1.3695 0.0850 0.6039 1.9138 2.3597 0.7126 0.6081 0.0575 0.0976 0.0425
cytidine 2^ or 3^-monophosphate (2^ or 3^-CMP) 7.4967 0.0660 0.5231 2.1772 0.0660 0.9515 0.0660 0.0660 0.0660 0.1956 0.2278 0.0660 0.8046 0.0660 0.9797 1.0176 0.2347 9.8813 0.0660 0.0660 0.0660 0.0660 0.0660 0.1069 0.0660 0.0660 0.0660 0.0660 1.0477 0.0660 0.7736 0.0660 0.0660 0.0660 2.7338 0.3870 7.7859 1.8366 0.9824 1.2470 0.0660 0.0660 0.0660 0.0660 3.3564 4.8333 0.0660 0.0660 1.1054 0.8146 1.3421 0.3827 3.3425 1.4417 2.3142 9.0085 0.3165 0.4196 3.0890 0.0660 0.3511 0.0660 0.0660 0.0660 0.0660 0.0660 1.2734 0.0660 0.5515 0.0660 0.3412
cytidine 5^-monophosphate (5^-CMP) 0.4849 0.0566 0.0888 0.2127 0.2006 0.1704 0.5736 0.2192 0.0566 1.1565 1.3682 4.1000 4.4347 7.8803 5.1247 0.2391 0.2534 0.3462 0.0629 0.3120 0.0566 0.1842 1.0437 0.0566 0.1058 0.2726 0.2771 1.2836 4.4717 0.4631 3.6899 3.9469 4.0509 2.0984 0.2131 0.1202 0.9283 0.9563 1.2976 0.3915 0.6438 0.9184 1.5594 3.8443 4.8824 3.0930 4.9504 6.1370 5.1057 6.4480 0.5473 1.4393 0.8277 0.9281 0.9154 1.7844 0.2988 0.5989 0.5507 1.6985 2.6040 1.2746 2.0227 6.2207 8.3679 7.4739 7.3586 6.5836 0.7935 2.7470 0.8637
cytosine 0.6698 0.1549 0.0711 0.3311 0.4593 0.2292 0.2526 0.3214 0.3107 0.5237 0.3644 0.2214 0.3227 0.3411 0.2044 0.9984 0.7877 0.1880 0.8431 0.1793 0.4864 0.6413 0.1978 0.3894 0.4159 0.2902 0.1857 0.5147 0.6268 0.2801 0.8569 0.7034 0.2802 2.9768 1.4692 0.8222 3.3861 4.4149 3.1799 4.5797 6.3249 4.3005 3.7244 9.4170 6.5048 2.3295 4.9190 1.7595 1.7578 4.1324 2.2448 3.8106 7.4553 1.2845 2.4318 3.0125 2.7750 4.2759 3.8724 5.8412 13.7429 3.8056 5.6134 7.9625 5.1431 5.3878 1.5900 1.0000 2.0159 3.1744 0.5703
deoxycarnitine 0.9145 0.0894 0.3426 0.3893 0.3438 0.2672 0.6239 0.4506 0.1381 0.8858 0.9734 2.4586 1.7746 1.8249 1.4021 0.1948 0.2987 0.1987 0.0896 1.0743 0.2680 0.0614 0.8035 0.1918 0.3261 0.4275 0.6148 1.2216 1.5661 0.5583 1.3152 1.8299 1.0519 0.2195 0.1954 0.1637 6.9138 4.0510 5.0625 2.2393 1.9683 0.9723 0.8041 1.2367 1.0000 1.0917 1.7280 1.7092 1.5146 1.7202 0.4982 0.9831 0.6668 2.6246 3.7061 5.4140 1.2332 1.3213 1.8346 1.5432 1.2182 0.7979 3.2642 2.0857 1.3085 0.9995 1.2781 1.5955 0.3555 1.1093 0.2970
deoxymugineic acid 4.0210 1.3045 7.2277 4.0222 4.3641 3.9796 1.0955 1.8051 3.3750 1.9815 1.3710 0.4269 0.2670 0.1543 0.3136 0.7300 0.8118 0.9495 10.0154 7.8290 8.7788 4.4402 4.9477 4.2918 4.1568 3.3452 1.8270 1.4957 1.1768 2.4170 0.8780 0.1930 0.8529 1.2926 0.3196 1.7140 0.0754 0.8359 1.0535 0.0754 0.7674 2.7523 1.3229 0.7094 1.1818 2.3624 0.3250 0.0754 1.2709 0.0754 0.9874 0.1122 0.0754 0.5825 0.4501 0.9436 0.6203 0.5196 0.5812 0.6654 0.2792 0.5305 0.1764 0.1836 1.0126 0.1297 0.0754 0.0754 0.0997 0.2566 0.0754
diacetylchitobiose 0.5297 0.6141 2.0604 0.6149 2.9987 1.9139 2.4020 3.4624 3.2408 2.6695 2.4873 1.1880 0.4897 1.2450 0.6710 2.3913 2.6334 1.8077 4.0133 2.9877 5.4902 1.6447 2.3418 2.9566 3.0342 4.4034 2.3727 1.4045 2.2107 4.1250 0.9535 0.5540 1.5735 1.0434 0.7807 2.3340 0.1507 0.2997 0.7482 0.7114 0.8418 0.8710 0.6028 0.6989 0.5456 0.4175 0.4105 0.2643 0.4099 0.3156 0.5352 2.0308 1.3309 0.5795 0.7242 0.7793 1.0574 0.5828 1.1974 1.0000 0.8507 0.7950 0.5541 0.1507 0.5155 0.5025 0.3266 0.1507 1.6891 2.3334 0.6891
diacetylspermidine* 9.6626 0.2846 1.9365 8.8238 1.9660 1.9850 2.6036 1.1183 0.2245 0.7317 0.5530 1.8671 0.2245 0.2245 0.5315 0.2311 0.6340 2.8806 3.1562 2.6213 1.6697 1.7465 1.9830 1.1420 1.0000 0.2245 0.4170 0.6845 0.2245 0.9819 0.2245 0.2245 0.2245 0.8966 0.2245 0.7169 3.0537 2.9981 3.7722 0.7541 1.1630 0.2245 0.3682 0.3002 0.2245 0.2245 0.2245 0.2245 0.2245 0.2245 0.2245 0.3619 0.3130 2.1136 4.1341 2.1150 0.9610 1.1529 0.7509 0.3936 0.2245 0.9111 0.2245 0.6131 0.2851 0.2245 0.2633 0.2245 0.2245 1.0557 0.2245
diaminopimelate 1.7265 0.5017 1.9216 0.6998 1.5117 1.5734 0.1194 0.1826 0.1199 0.3022 0.1831 0.0761 1.1865 0.3188 0.1708 0.5173 0.6356 0.0778 2.0990 2.9882 2.3151 1.0675 1.7805 1.4063 0.1086 0.0454 0.1361 0.1062 0.0723 0.2023 0.2714 0.0741 0.8230 0.4377 0.0454 0.9015 4.1293 2.3933 2.2911 1.9125 2.3505 1.1749 1.2545 0.9973 1.0733 0.5731 0.9290 2.0060 0.6908 1.0027 0.3295 1.4819 1.2387 3.0143 2.3763 3.0477 1.4281 2.3513 1.9615 0.9620 1.0052 1.0472 0.3685 1.1671 0.4439 0.5739 1.6743 1.2247 0.6519 2.5431 0.2004
dihydrobiopterin 0.2864 0.3830 1.7197 0.2864 0.9160 1.0617 1.3438 1.9616 0.6457 2.2212 1.5176 1.3927 1.4424 0.5172 1.1329 0.5625 1.2320 0.4616 1.8455 0.7512 2.5473 1.5042 0.8366 1.6665 1.6182 1.9954 1.3501 0.7801 1.5963 1.9540 1.2023 0.4900 0.9482 0.4049 0.3251 1.5781 0.2864 0.2864 0.2864 0.2864 0.2864 1.3338 0.6115 0.7007 0.8682 0.7019 0.6888 0.3339 0.8504 1.0953 0.2864 0.5078 0.3730 0.2864 0.2864 0.2864 0.2864 0.2864 0.2864 1.8510 1.4299 1.0223 1.2040 0.4975 0.8052 1.3716 0.8996 0.6668 1.0000 0.3991 0.2864
dimethylarginine (SDMA + ADMA) 0.8439 0.6325 1.6271 0.6241 1.0200 1.3268 0.9603 0.6800 0.5042 1.1580 1.3132 2.3703 3.7906 2.7122 2.8048 0.4072 0.4743 0.4632 1.4144 1.6582 1.1391 0.8610 1.2350 0.8509 0.5080 1.0417 1.0000 1.3577 1.5827 0.5209 1.3293 3.5380 2.0305 0.5880 0.1661 0.7825 0.9557 0.6085 0.7364 0.4203 0.3916 1.1090 0.8724 2.2253 0.7897 1.3278 1.6438 5.4747 1.2550 2.3912 0.2302 0.2768 0.3114 0.8406 1.0416 0.9630 0.5479 0.7487 0.5571 1.8764 3.0392 1.0423 4.8663 2.9600 1.3654 0.8160 3.6008 2.1168 0.1528 0.5073 0.0644
dimethylglycine 0.4293 0.2143 0.4350 0.5838 0.5895 0.2994 0.6305 0.3446 0.2143 0.7272 0.4396 1.1185 2.4351 1.1859 2.6719 0.3551 0.6980 0.9790 0.8431 1.4264 0.3239 0.5987 1.3328 0.4640 0.2447 0.3405 0.4308 0.8057 1.1479 0.4877 1.4695 2.9460 1.8993 0.2601 0.8093 0.6843 5.3652 3.1279 1.9669 2.4259 1.5494 0.5610 0.5426 1.0508 1.0210 0.7611 0.6763 1.7402 1.6423 2.0256 0.4719 1.2647 1.0924 7.7513 3.2313 2.5734 5.6118 2.0094 1.5852 0.8957 0.7198 0.7038 1.4483 0.8135 0.9368 1.9317 2.0841 2.7666 1.3399 1.9365 1.1057
dimethylguanidino valeric acid (DMGV)* 0.1938 0.1938 0.1938 0.1938 2.8467 0.1938 0.6503 1.7325 2.4991 4.9916 0.9003 1.4875 0.2505 0.2920 0.1938 0.1938 0.8860 0.1938 3.4490 2.7273 7.0418 1.0897 2.3249 4.3109 1.0308 3.5126 2.3904 0.7956 0.9692 4.2598 0.1938 0.1938 1.6978 0.2853 0.1938 0.9278 0.1938 0.1938 0.1938 0.1938 0.1938 2.4698 1.5476 0.7610 0.4332 0.5639 0.8621 0.1938 0.3006 0.1938 0.1938 0.1938 0.1938 0.1938 0.1938 0.1938 0.1938 0.1938 0.1938 2.8594 0.6830 0.8391 0.3048 0.7040 0.5363 1.1894 0.1938 0.1938 0.1938 0.1938 0.1938
dipicolinate 0.2416 0.3183 0.0531 0.2091 1.6718 0.0951 0.1601 2.6375 0.4357 0.8919 0.0531 0.0531 0.0531 0.0531 0.0531 0.0752 0.2383 0.0773 0.3831 0.2806 0.4716 0.5696 0.3030 0.5248 1.0855 0.0560 0.5505 0.5855 0.0531 0.9145 0.1646 0.0531 0.0986 0.4381 0.0531 0.6988 4.3990 8.4648 1.5589 2.9006 3.7845 8.1845 14.3290 9.1121 16.4780 3.3235 5.2167 0.9081 0.3865 1.6136 0.1394 2.9704 1.5573 2.6270 12.1122 5.8186 1.4751 20.7662 10.7389 6.1066 3.3481 23.5145 0.0531 10.7623 4.8179 1.6528 1.4422 0.1495 0.1536 4.9391 0.1732
ectoine 3.5722 0.3136 1.4711 1.9457 0.6400 1.7149 0.6406 0.9780 0.6208 0.3826 0.1280 0.2088 0.6468 0.0533 0.7501 2.5429 1.2977 1.0713 1.4329 0.9490 0.8893 1.8320 0.6746 1.0000 0.8465 0.2999 0.1348 0.0533 0.1676 0.3875 0.7414 1.7128 0.0533 5.3018 3.5405 2.6264 3.8953 2.5173 1.9369 2.4428 2.9753 0.9477 0.3878 0.2383 0.5150 1.0209 1.0094 0.0533 4.0225 2.7447 7.1085 2.1570 4.6098 3.5703 1.6454 2.6221 3.6467 1.4564 1.9014 0.5516 0.1232 0.5837 0.3907 0.0533 0.7045 0.8067 0.1787 0.8820 2.8339 1.8624 0.3208
ergothioneine 0.0685 0.0377 0.1975 0.1484 0.1458 0.1352 0.6981 0.4890 0.1663 0.7171 1.4151 4.9869 6.2679 8.0034 7.4133 0.9489 0.5107 1.1613 0.1509 0.1290 0.1577 0.1416 0.2235 0.2837 0.2063 0.6015 0.6972 1.0709 3.4651 0.5657 4.1419 7.7894 4.2078 1.2123 0.5733 0.7538 0.7450 0.6168 0.8112 0.7424 0.7323 1.7358 1.7123 4.0751 3.3164 3.5993 3.4730 13.7172 6.8928 9.3646 1.1077 1.7003 1.4670 0.3444 0.6917 0.5748 0.3327 0.9426 0.4824 2.1427 3.6486 1.8031 7.6620 6.8241 4.0028 4.8586 11.2186 10.7608 1.0000 1.3015 1.3891
feruloylputrescine 0.0967 0.2243 1.3070 0.0967 1.1969 0.9144 0.4553 0.4957 0.9460 0.0967 0.0967 0.0967 0.0967 0.0967 0.0967 0.2595 0.3392 0.0967 1.8563 1.1757 1.8556 1.6710 1.2787 1.3049 1.2647 1.1230 0.4866 0.0967 0.0967 0.0967 0.0967 0.0967 0.0967 1.3063 0.1660 1.0540 0.0967 0.0967 0.0967 0.0967 0.0967 0.0967 0.0967 0.0967 0.0967 0.0967 0.0967 0.0967 0.0967 0.0967 0.2956 0.0967 0.0967 0.0967 0.0967 0.0967 0.0967 0.0967 0.0967 0.0967 0.0967 0.0967 0.0967 0.0967 0.0967 0.0967 0.0967 0.0967 0.0999 0.0967 0.0967
formiminoglutamate 2.1716 2.1938 31.8958 2.7296 9.4871 13.3123 1.0148 3.5774 0.8025 5.1475 1.5321 1.6012 2.0157 1.1218 0.6640 2.5471 4.2830 4.2229 0.0818 4.3872 1.1110 0.0271 2.6746 0.3954 0.1437 0.4526 1.2330 0.1942 0.3381 0.6381 0.1508 0.2085 0.5721 0.0504 0.0788 0.5043 1.9237 3.9133 3.8637 1.1421 1.0803 0.4572 1.2015 1.0000 1.0480 0.4747 0.5388 0.4574 0.3471 0.3535 0.3208 1.1408 1.1294 1.4517 6.0632 2.3057 0.7590 4.4963 1.2453 0.6484 0.7616 0.7669 0.3277 1.4345 0.4586 0.3781 0.5856 0.3528 0.2966 0.7515 0.1058
fructosyllysine 0.6597 0.8908 2.7706 0.2104 2.6824 1.5404 2.7919 1.6693 4.8267 1.7748 3.0641 0.7986 0.5367 0.6640 0.2995 0.2461 0.5799 0.0861 8.1032 3.4711 4.5141 4.1989 1.6967 2.5071 4.1638 3.7128 1.3247 1.9019 2.5695 1.5185 1.3814 0.7430 1.0000 1.4190 0.0408 1.0345 0.5463 0.5451 0.5811 0.2486 0.2230 3.4677 3.5601 1.5863 1.9418 1.8973 2.4951 0.4458 1.5822 0.8417 0.0453 0.1023 0.0949 0.8554 0.7598 0.6426 0.2809 0.2796 0.2371 3.2452 2.2892 2.3300 0.8471 0.8626 1.1699 1.1642 0.2263 0.4037 0.0507 0.1427 0.0145
gamma-glutamylalanine 0.0990 0.3239 0.7862 0.1030 0.4631 0.2221 1.4805 0.0452 0.5041 1.1068 1.0388 1.3684 2.3649 3.0005 2.2779 0.0090 0.1057 0.0702 0.8511 1.2151 0.4453 0.4361 0.6244 0.2255 1.0000 1.0883 1.4332 2.9863 1.2481 1.1282 3.7098 2.4783 2.8704 0.0090 0.0090 0.0418 0.2029 0.1585 0.1354 0.0964 0.0803 0.6968 1.2907 2.5094 1.1623 1.3909 1.7284 2.5064 1.6987 3.6759 0.0296 0.0388 0.0380 0.1531 0.2639 0.1902 0.1029 0.1539 0.1069 1.5441 1.5762 1.1727 1.3422 2.1045 1.3138 1.6728 2.5757 3.0497 0.0090 0.0800 0.0090
gamma-glutamyl-alpha-lysine 0.2705 0.3476 0.4345 0.3438 0.0049 0.0049 1.0103 0.9087 0.0049 1.1578 1.7522 1.6738 2.1420 2.1326 2.0085 0.1008 0.2041 0.1756 1.2792 1.1672 1.1406 0.9788 1.1043 0.0049 0.5331 0.9295 1.0000 1.5811 1.7594 0.0049 1.9182 1.5195 1.6706 0.0049 0.0049 0.4024 0.4923 0.4352 0.4179 0.1986 0.2503 1.1913 0.9032 1.7210 1.0454 0.9362 1.4008 2.0531 1.3045 1.7481 0.0247 0.0603 0.0457 0.6521 0.7056 0.5799 0.3100 0.4304 0.3345 1.2954 1.8963 1.0781 1.6357 1.3957 1.2554 1.4623 2.4653 1.8809 0.0143 0.0495 0.0088
gamma-glutamylcitrulline* 0.1539 2.0782 3.9976 0.1539 3.9765 2.2610 0.3973 0.6738 0.1539 0.2962 0.1539 0.2772 0.9729 0.5553 0.9222 0.2072 1.0271 0.1624 4.9275 5.6855 4.4969 3.2827 4.3071 2.8953 0.1539 0.1801 0.4533 0.3035 0.2550 0.2192 1.2658 0.7439 1.1063 0.6179 0.1539 1.0459 1.1400 1.5399 0.9521 0.1898 0.2946 1.0954 0.7990 1.5238 0.8455 0.4632 1.0650 0.5208 0.9032 1.6759 0.1539 0.1539 0.1539 1.0659 2.5472 2.3695 0.1539 0.3837 0.9335 1.1991 1.2981 1.3899 0.1539 1.1730 0.8006 1.3459 1.2184 0.9284 0.1539 0.1539 0.1539
gamma-glutamylcysteine 0.0576 0.0576 0.1445 0.0576 0.0576 0.0576 0.2429 0.1972 0.0576 0.4314 1.3170 21.7828 30.6550 23.8154 30.5894 0.1067 0.3548 0.7668 0.0576 0.0980 0.0576 0.0576 0.0576 0.0793 0.0831 0.1335 0.1813 3.9318 7.9991 0.6808 69.6727 31.8829 30.4740 0.0576 0.0576 0.0576 0.0576 0.0576 0.0576 0.0576 0.0576 0.4924 1.0786 1.0478 4.3661 8.9682 1.9539 14.4513 24.4402 16.4349 0.0814 0.7901 0.3586 0.0576 0.0576 0.0576 0.0576 0.0576 0.0576 0.9522 0.4843 0.3232 5.7756 10.8644 13.0353 29.7571 21.0969 32.2768 0.7182 0.5612 0.8532
gamma-glutamyl-epsilon-lysine 0.4682 0.9116 2.9018 0.1865 3.7663 2.1432 1.7478 1.8689 3.6223 1.3139 2.4101 1.3849 0.8493 0.9968 0.8125 0.1310 0.4660 0.0632 5.7138 3.2116 4.4404 3.1809 2.1020 3.1689 2.3860 2.6095 7.3880 1.6795 1.3777 4.1819 1.0741 0.2960 1.0224 1.0442 0.0100 0.8604 0.5000 0.3376 0.4422 0.1623 0.1658 2.6540 2.0428 1.8859 1.0068 1.0000 1.8093 0.4938 0.5818 0.8279 0.0152 0.0621 0.0499 0.5036 0.4891 0.4791 0.2287 0.2661 0.1915 2.3127 2.0843 1.8471 1.2185 1.2181 1.0733 0.7460 0.6531 0.6364 0.0163 0.0949 0.0119
gamma-glutamylglutamate 0.0704 0.6406 0.2116 0.0246 0.9266 0.2095 1.8312 1.4428 0.1994 1.5452 1.2310 3.5963 5.4718 5.1073 6.1307 0.0134 0.1588 0.0139 1.1901 0.9021 0.9402 0.6873 0.6905 0.6667 0.6314 1.0598 1.4222 2.2225 2.0835 1.3385 7.5027 5.8370 4.5223 0.1552 0.0099 0.1989 0.3873 0.1896 0.1671 0.0205 0.0928 1.8360 1.5017 3.2148 1.8243 1.7038 2.8267 4.5804 3.2680 7.2052 0.1247 0.1705 0.0692 0.3371 0.2398 0.3851 0.0751 0.0935 0.0720 2.7321 3.2677 2.6560 2.5219 2.9723 3.4852 4.1189 5.6177 6.0068 0.1269 0.4032 0.0099
gamma-glutamylglutamine 0.0203 0.4428 0.4089 0.0617 0.7818 0.2542 2.3118 1.2746 0.2220 2.6079 2.0178 5.2662 7.1709 7.5890 6.0531 0.0307 0.1438 0.0664 1.5162 1.0000 0.8949 0.7607 0.7722 0.4846 0.5019 1.2968 1.5817 3.9465 3.5975 1.3272 7.6558 6.4450 7.1964 0.2297 0.0130 0.2298 0.1049 0.0576 0.0799 0.0556 0.0733 2.2720 1.9148 4.8731 2.4289 3.3954 4.0248 5.3057 5.6170 8.5279 0.0192 0.0280 0.0174 0.0978 0.1205 0.0946 0.0624 0.1295 0.0785 3.4630 4.1983 2.3875 3.0263 4.1912 4.5954 5.0151 6.8930 6.8653 0.0258 0.0299 0.0172
gamma-glutamylglycine 0.0300 0.8372 1.0408 0.0877 1.7880 0.4928 0.7878 1.0668 0.9403 1.1574 1.2910 1.4773 2.2079 2.4820 1.8889 0.0300 0.2479 0.0300 2.1949 2.1942 2.0157 0.8658 1.2100 0.9334 0.7262 1.2678 1.2880 1.4358 1.5736 0.7728 1.6042 1.9987 1.1748 0.0499 0.0300 0.1957 0.1017 0.0396 0.0702 0.0570 0.0634 0.8850 0.7015 1.1216 0.8466 0.6997 1.0511 3.3383 1.0000 2.0952 0.0300 0.0619 0.0300 0.0559 0.0887 0.0814 0.0300 0.0979 0.0300 1.0187 1.5897 0.9680 2.4089 1.9243 1.3211 0.9161 2.7012 1.5114 0.0300 0.0486 0.0316
gamma-glutamylhistidine 0.0439 0.3566 0.1637 0.0850 0.9265 0.1088 1.2264 1.1208 0.3640 1.5814 1.8028 2.2948 3.7471 3.8319 3.2498 0.0459 0.1917 0.0536 1.1840 0.5605 1.0203 0.9429 0.5997 0.6393 0.7121 1.0710 1.1899 2.1822 2.3605 1.0708 2.8249 3.1733 2.5393 0.5172 0.0547 0.2818 0.0764 0.0827 0.0971 0.0615 0.0870 1.1883 0.9797 2.2246 1.2014 1.3106 1.8425 4.0305 1.8987 2.8582 0.2260 0.0284 0.0450 0.1496 0.1080 0.0845 0.0950 0.1820 0.0754 1.7741 2.7720 1.3056 2.5070 2.1383 1.7017 1.7440 3.9114 3.0000 0.0374 0.0225 0.0225
gamma-glutamylisoleucine* 0.1302 0.6580 1.7209 0.3731 1.1359 0.7636 1.3196 1.3158 0.4784 1.4262 1.5136 1.2597 2.5602 2.0979 2.3864 0.0726 0.3514 0.1282 1.9840 1.8789 1.2026 0.9697 1.0303 0.5899 0.6438 1.1483 1.3511 1.9733 1.4571 0.8992 1.8138 1.7041 1.5968 0.2543 0.0180 0.3788 0.3171 0.2498 0.2926 0.2000 0.1620 0.8118 0.6364 1.9850 0.7441 0.6348 1.3337 2.4990 1.0485 2.5270 0.0737 0.0296 0.0459 0.2735 0.2027 0.3561 0.1233 0.3683 0.2392 1.4355 2.2830 1.0406 2.1459 1.3541 1.0814 1.0914 3.0887 1.7199 0.0137 0.0492 0.0137
gamma-glutamylleucine 0.8018 0.3117 0.5861 0.6372 0.3804 0.5799 2.5301 1.7625 0.4822 2.5706 2.2120 4.2657 7.5099 6.8634 7.1586 0.2988 0.2977 0.3160 0.5535 0.6471 0.3393 0.4998 0.6678 0.4085 0.8285 1.8020 2.2479 4.2408 3.3521 1.6640 5.9906 6.5973 5.8103 0.5901 0.0108 0.6650 0.5642 0.6766 0.8677 0.2288 0.2947 1.9781 1.8334 4.7342 1.8755 2.3057 3.4875 7.9641 4.0613 7.2798 0.0427 0.0739 0.0676 1.1454 1.0000 0.9526 0.6327 0.8873 0.4128 3.5090 4.6375 2.4995 4.5699 3.7150 3.5949 4.3174 8.5567 7.0786 0.0802 0.1179 0.0435
gamma-glutamylmethionine 0.1239 0.1833 0.3803 0.1849 0.3283 0.2436 3.8900 3.1917 0.5299 3.9588 3.3340 9.1706 10.8272 12.3530 10.7704 0.0340 0.0873 0.0709 0.5407 0.5183 0.3281 0.2988 0.3708 0.2342 1.4593 2.5736 3.7239 7.5530 5.4036 3.1675 17.4919 6.2840 15.1578 0.2685 0.0043 0.1986 0.3112 0.2259 0.2192 0.1047 0.1301 4.4169 3.7307 8.5235 3.8439 4.5556 6.3490 4.7305 9.2354 15.2606 0.1350 0.0192 0.0279 0.3398 0.2987 0.3040 0.1100 0.2188 0.1477 7.4985 5.9627 4.5656 4.5015 6.2772 7.7043 9.9361 8.6597 10.9796 0.0179 0.0219 0.0043
gamma-glutamylphenylalanine 0.1131 0.3003 0.5811 0.2298 0.6994 0.3760 1.3418 1.0954 0.4094 2.0484 1.4224 2.3377 3.5390 3.4964 3.2864 0.0535 0.2439 0.1585 0.7243 0.7779 0.5095 0.4641 0.5243 0.3442 0.5210 1.0381 1.0856 2.3842 2.4602 1.0000 3.2088 3.4234 2.8051 0.6091 1.1176 0.3433 0.2730 0.2296 0.2316 0.1531 0.1989 1.5988 1.2468 2.4651 1.8760 2.2098 2.1132 4.4554 3.0599 3.5213 3.4391 0.0540 0.1353 0.3403 0.3296 0.2833 0.1813 0.3353 0.2181 1.8011 2.5002 1.4977 3.0373 2.4229 3.2071 2.3367 4.1153 3.3087 0.3882 0.0604 0.0318
gamma-glutamylserine 0.0990 0.5046 0.5316 0.1594 0.8643 0.2867 1.4938 1.0861 0.2666 1.8764 1.4271 3.8927 6.6610 6.2063 6.5086 0.0304 0.1364 0.0329 1.5508 1.3509 1.1035 0.6897 0.8248 0.4470 0.4673 1.1194 1.4097 2.6015 2.7229 0.9959 4.8902 5.4971 4.2077 0.1508 0.0333 0.1858 0.1428 0.1150 0.1268 0.0776 0.1059 1.0041 0.9599 2.3539 1.3555 1.6809 2.2345 6.4514 2.7633 6.4504 0.0267 0.0156 0.0159 0.1432 0.1367 0.1397 0.0856 0.1369 0.1000 1.8238 2.6501 1.1183 3.9264 3.2804 2.5725 2.6239 7.0820 5.0403 0.0172 0.0202 0.0156
gamma-glutamylthreonine 0.0994 1.5392 3.3009 0.2723 3.4465 1.2669 0.6209 1.1911 0.6910 1.8656 1.6592 1.4316 2.7375 2.4960 1.6205 0.1097 0.7696 0.1220 8.5203 6.2241 6.9644 2.1153 4.4406 2.1470 0.3555 1.1977 1.7020 1.9258 1.8034 1.1309 1.4412 1.7420 1.8658 0.5141 0.0106 0.7727 0.2268 0.2518 0.3016 0.1585 0.1551 0.5988 0.7163 1.6712 0.9181 0.8170 0.9469 3.0981 1.1258 1.6562 0.0881 0.0926 0.0869 0.1878 0.3466 0.2298 0.0640 0.3222 0.2032 1.0000 2.1824 0.8711 2.0891 2.0809 1.0559 0.8304 3.0420 1.8608 0.0708 0.1007 0.0603
gamma-glutamyltryptophan 0.0150 0.1142 0.1287 0.0587 0.1728 0.0924 1.4077 1.1341 0.3018 1.3134 1.3149 1.7518 2.7519 2.5051 2.3594 0.0150 0.0726 0.0150 0.3590 0.3184 0.1944 0.2228 0.2095 0.1056 0.6042 1.0000 1.2287 2.3436 1.4042 1.3243 3.0437 2.5858 2.5282 0.0832 0.0728 0.0906 0.0540 0.0347 0.0357 0.0327 0.0494 1.3337 1.0709 1.9728 1.0471 1.0908 1.5965 2.0703 1.6615 2.4193 0.1789 0.0150 0.0150 0.0621 0.0583 0.0569 0.0321 0.0741 0.0399 1.8765 1.8516 1.5991 0.9561 1.2282 1.6219 2.1683 2.7345 2.8611 0.0482 0.0150 0.0150
glutamate 0.9807 0.1869 0.6413 0.4357 0.3939 0.4571 1.0000 0.5187 0.1861 1.3255 1.2811 2.2307 2.1992 2.4675 1.9549 0.2173 0.2486 0.2000 1.2156 0.8252 0.6457 0.6162 0.6159 0.3709 0.3811 0.7077 0.6737 1.2913 2.0155 0.8025 1.7431 1.8471 1.7245 0.3517 0.0468 0.3274 1.6402 1.1882 1.4321 0.4911 0.5888 1.2721 1.2736 1.9943 1.5171 1.6329 1.9074 2.3473 1.6650 2.1440 0.1506 0.3806 0.2858 0.9543 1.3394 1.4570 0.3414 0.4330 0.5826 1.5897 1.8185 1.2251 2.3749 2.3565 1.8266 1.3634 2.1757 1.8412 0.1941 0.3456 0.1279
glutamate_ gamma-methyl ester 1.1786 0.1216 1.3782 0.4156 0.8729 0.4624 0.7104 0.8304 1.0095 0.6843 0.7026 1.0350 1.4901 1.9388 1.8904 0.1214 0.0959 0.1602 2.0361 2.7053 1.5622 0.7284 0.7006 0.5009 1.3583 1.4191 0.7648 0.8544 0.9136 0.4888 1.5899 2.5638 0.9905 0.1421 0.0896 0.0896 1.4756 1.1043 1.5173 0.8557 0.9258 0.6142 0.6554 0.8851 0.7561 0.6959 0.8036 1.7949 1.0497 1.7256 0.2059 9.3069 4.0691 1.0481 1.4234 1.3463 0.3760 1.0374 0.6198 0.8170 1.0677 0.8944 1.6302 1.2948 1.0161 1.2513 1.8221 1.6254 5.3263 4.4139 0.5986
glutamine 0.2586 0.2084 0.9391 0.2816 0.4915 0.6022 1.8579 0.8457 0.2960 2.5037 2.2600 4.9432 4.8761 5.7083 4.8732 0.3315 0.4290 0.2494 1.8532 1.1832 0.7846 1.0000 0.8642 0.4475 0.6053 1.1002 1.1212 2.4469 4.2740 1.4248 3.8773 4.3083 4.1609 0.7878 0.0418 0.6091 0.6626 0.4975 0.7095 0.3559 0.4749 2.3233 2.3485 3.7641 2.8904 3.7240 4.0434 5.1900 4.0698 5.1539 0.0576 0.2476 0.1770 0.4821 0.6741 0.6501 0.4066 0.6089 0.4727 3.0925 3.0065 2.1011 5.1270 4.8152 3.9998 3.2315 5.2633 4.4567 0.1694 0.2670 0.1618
glutamine_degradant* 0.1821 0.5417 2.3981 2.2907 1.2167 0.1588 0.3393 0.3031 1.1868 0.9448 0.8996 0.2172 1.6095 1.0963 0.1333 1.7097 1.0186 1.0000 1.7845 2.0899 1.3588 0.2581 1.0229 0.1256 0.3070 0.8093 0.5949 1.1247 1.0965 0.2320 0.2774 3.6984 1.1052 0.2638 2.3888 0.1048 0.2027 2.8725 3.0310 1.8292 0.1137 0.5040 0.7475 0.9366 1.0472 1.0749 0.4583 1.6467 3.5916 0.1902 5.5349 1.6367 2.5191 0.1359 3.5937 3.8036 0.3538 1.8840 2.2810 0.4018 0.6604 0.4532 0.2436 0.7682 0.4829 0.4134 1.2580 2.2499 2.1737 1.8393 0.5604
glutaminylleucine 1.1512 0.0540 1.0481 0.9913 0.3680 0.9587 0.3115 0.1060 0.0540 0.0540 0.6611 1.1455 0.7297 1.1707 1.2554 0.6809 0.9191 4.1873 0.0540 1.0643 0.0540 0.0540 1.0345 0.7231 0.1911 0.1039 0.1248 0.3949 1.2965 0.0540 1.3697 0.7007 1.1502 7.8889 0.0540 3.8316 1.3694 2.6454 2.9327 1.4080 2.0582 0.7409 1.2089 0.9094 0.9767 0.9377 0.8322 0.3704 1.6804 1.0000 0.6212 0.0540 0.9025 7.6530 4.8381 1.7385 4.7122 2.2211 3.2286 0.5708 0.3478 0.4308 0.2432 0.8232 1.2765 3.8248 0.7929 1.0302 2.2983 0.9985 3.1744
glutarylcarnitine (C5-DC) 1.2822 0.1996 1.1184 1.0442 0.8471 0.9059 0.8323 1.3230 0.8270 1.5884 1.0464 1.9251 4.7651 2.0576 5.0974 0.2142 0.2159 0.1856 1.1444 1.4758 2.9472 0.3865 1.1026 1.4058 0.6387 1.1396 1.6935 0.9668 1.1571 3.0235 2.6259 5.5956 3.8407 0.1856 0.1856 0.7390 0.5820 0.6311 0.8021 0.5719 0.9816 0.6591 0.4749 0.1856 1.0393 0.4945 0.9923 3.9249 2.8037 3.1969 0.1856 0.2809 0.1894 1.0000 0.3398 0.5848 0.8927 0.5191 0.4082 0.9527 0.7474 1.1002 1.7908 0.3895 1.7131 2.5010 4.9142 3.2556 0.1856 0.1856 0.2554
glutathione_ reduced (GSH) 0.0600 0.0600 0.0600 0.0600 0.0600 0.0600 0.0600 0.0600 0.0600 0.0600 0.0600 0.3671 0.7175 0.4880 1.0703 9.9556 21.9458 28.8025 0.0600 0.0600 0.0600 0.0600 0.0600 0.0600 0.0600 0.0600 0.0600 0.0870 0.0931 0.0600 8.6184 3.0608 1.2931 0.2157 0.0600 0.8115 0.0600 0.0600 0.0600 0.0600 0.0600 0.0600 0.0687 0.0600 0.3692 0.9297 0.0600 0.2572 2.5612 0.6555 1.8183 9.9612 2.7319 0.0600 0.0600 0.0600 0.0600 0.0600 0.0600 0.0600 0.0600 0.0600 0.0600 0.1547 0.5314 3.8839 0.4607 2.5594 39.2602 3.1636 90.2158
glycerol 3-phosphate 0.5198 0.0198 0.2533 0.5617 0.1768 0.3693 0.2931 0.1011 0.0553 0.2971 0.3833 8.8367 1.1517 2.7376 2.4082 1.0000 1.5005 1.6622 0.1059 0.1777 0.0893 0.1369 0.4282 0.1408 0.1148 0.1541 0.1669 0.3513 2.8443 0.2138 2.4390 1.2196 1.4128 0.4570 1.0648 0.2336 0.8349 1.0000 0.7085 0.3360 0.5804 0.4810 1.6277 1.5118 3.2030 5.1338 1.5192 1.4785 0.9468 0.9237 1.6992 2.6285 1.8181 1.6605 1.4762 1.0665 0.8905 1.2014 1.1896 0.8164 1.0368 0.7668 3.7992 6.0710 3.4344 1.0199 1.7901 1.4852 3.2238 2.5944 3.2352
glycerophosphoethanolamine 0.2580 0.0521 0.1595 0.7365 0.2921 0.3727 0.5953 0.3063 0.1178 0.8445 0.5401 13.3150 16.2226 9.9541 47.3580 0.6098 1.5539 7.2077 0.1991 0.1779 0.1480 0.3367 0.5858 0.3345 0.2684 0.2010 0.3220 1.0000 4.1984 0.5354 13.4050 36.8921 15.1931 0.5799 0.3595 0.7065 0.2990 0.3741 0.3096 0.5286 0.7073 1.3570 3.1524 3.1498 4.8227 5.7793 4.1798 21.1593 14.1434 16.8994 0.5858 1.3042 1.3272 0.5536 0.6248 0.4102 1.2451 2.2746 0.9921 1.6732 1.5598 2.1106 3.9360 6.2523 3.8621 13.8083 19.5057 31.1079 2.1232 1.3747 2.9161
glycerophosphoglycerol 0.8761 0.1695 0.8229 0.4639 0.6670 0.7864 0.6383 0.3196 0.3273 0.5129 0.6547 2.0834 2.2202 1.3348 4.3472 0.6832 0.8487 2.5613 0.7961 0.7944 0.5029 0.5534 0.6935 0.3954 0.3577 0.3656 0.4136 0.7214 0.8977 0.5053 1.6251 4.1004 1.6993 0.5622 0.4289 0.4634 1.0000 0.8100 0.8490 1.1156 1.0826 1.6860 1.9976 1.9279 1.9666 1.8396 1.5092 5.0773 2.7289 3.8419 1.6655 2.2823 2.1077 0.9598 1.1955 0.8093 0.8925 1.3936 0.8788 1.5474 1.7537 2.6826 1.9130 2.3987 1.8747 3.0573 4.9049 6.1351 1.1875 3.7343 0.8261
glycerophosphoinositol* 0.2246 0.2256 0.9286 0.3049 0.7356 0.7815 0.7461 0.7762 0.6893 1.2746 0.8140 9.0212 6.7780 5.0196 25.2746 1.3733 0.9851 3.9060 1.1623 1.0475 1.0000 0.7631 0.8524 0.7591 1.1921 0.9361 0.8008 1.4786 5.1957 1.0947 8.2556 18.1686 4.9636 2.2939 2.8386 0.8959 0.2411 0.2599 0.2443 0.2577 0.2121 0.5796 1.1592 0.8049 2.1371 5.3665 2.2002 6.7434 11.6817 6.4888 5.5629 0.7402 1.2732 0.2797 0.2287 0.3362 0.4359 0.3234 0.3884 0.8464 0.9505 1.1739 3.7051 2.6409 4.1523 6.6536 7.1310 9.7899 1.9427 0.3796 0.4947
glycerophosphorylcholine (GPC) 0.0464 0.0119 0.1713 0.3638 0.2547 0.3465 0.4056 0.2596 0.0470 0.7128 0.3461 6.1512 12.3355 8.2786 25.8399 1.2034 1.8066 4.8210 0.2217 0.1870 0.1494 0.2842 0.7808 0.2998 0.2652 0.1593 0.2270 0.6498 4.7669 0.4445 12.4096 21.5410 13.4559 1.9215 0.9901 0.9423 0.0473 0.0889 0.0822 0.1912 0.2777 1.0027 2.7550 2.5840 4.4170 8.5847 3.0446 14.1871 14.4212 15.3623 2.7491 1.3362 1.2744 0.3013 0.1686 0.1154 0.8380 1.2083 0.6520 1.0000 0.9486 1.2960 2.1995 4.7124 2.9011 12.5093 13.8243 19.9970 2.4399 1.2327 3.1127
glycerophosphoserine* 0.0283 0.2841 0.3571 0.0873 1.0100 0.1978 1.5988 1.6265 1.0914 0.8179 1.3107 10.9195 6.7623 3.1361 27.0968 0.0283 0.2807 1.8173 1.1224 0.7643 0.9624 0.7005 0.5175 0.5925 1.3934 1.9175 1.6903 0.9228 2.0702 0.7197 4.9345 22.5228 4.2822 0.2023 0.0632 0.2299 0.1982 0.1219 0.1908 0.1385 0.1601 1.6288 2.3082 2.8458 1.2431 2.5029 0.9900 10.2950 4.6065 4.6703 0.1345 0.1288 0.1243 0.1611 0.2969 0.2133 0.1861 0.3585 0.2191 2.4162 3.8888 1.9848 4.2480 3.1615 1.2219 2.9676 8.8506 13.2630 0.3433 0.1521 0.2157
glycine 0.5748 0.3241 1.4972 0.2715 0.3201 0.8459 1.4985 0.8939 0.2618 2.0332 1.6427 3.2012 3.4502 3.5818 3.3043 0.1148 0.1608 0.1290 1.8930 1.6653 0.7685 0.8306 0.9569 0.2991 0.5795 1.0000 1.0051 1.7884 2.6019 1.1845 2.7582 2.9403 2.4950 0.1667 0.0652 0.1848 0.4926 0.3519 0.4374 0.1979 0.3018 1.7524 1.2816 2.4422 1.5933 1.8114 2.6746 3.7190 2.2886 3.5160 0.0651 0.1883 0.1292 0.3388 0.4550 0.5248 0.2149 0.3073 0.2365 2.2581 2.4374 1.6875 3.8754 3.0380 2.2825 1.8690 3.6432 2.6649 0.1149 0.1227 0.0761
glycylisoleucine 1.4272 0.0469 0.9111 1.1503 0.5662 1.1999 0.2892 0.1559 0.4343 0.3319 0.6061 1.7369 1.3361 1.5001 1.5315 0.1894 0.2729 0.6664 0.4725 0.6200 0.3095 0.7694 0.9422 0.7272 0.1720 0.1623 0.1809 0.7335 1.5752 0.2388 2.2103 0.5879 2.1264 1.5596 0.0100 1.5778 1.7348 1.8809 2.1769 0.7147 1.2677 0.8101 1.4557 2.0671 2.3276 1.6464 2.0304 0.4898 1.9864 2.1755 0.0286 0.0368 0.0346 2.1336 2.3438 1.8446 1.7698 1.7527 1.2045 1.0000 1.2187 1.0182 0.6277 1.3430 2.6601 4.4839 0.9569 1.3232 0.0202 0.0723 0.0528
glycylleucine 1.5974 0.0159 0.6642 1.0146 0.2686 0.6055 0.2894 0.1058 0.2524 0.3099 0.5701 2.3477 2.3129 2.5167 3.3281 0.9336 0.8145 0.8193 0.4796 0.3485 0.2421 0.4586 0.4777 0.3845 0.1421 0.1005 0.1066 0.6523 1.7774 0.2944 3.3870 1.7421 3.1902 1.1193 0.0397 1.1431 1.8380 1.8320 2.1037 0.8975 1.1119 0.8852 1.3170 1.9628 2.3403 2.0852 1.7832 1.0319 3.3714 3.2119 0.1165 0.3844 0.3120 1.6894 2.0667 2.3307 1.1136 1.3738 1.1312 0.9158 1.0000 0.8084 0.6653 1.4659 2.7301 5.6350 1.7291 2.9057 0.4956 0.3379 0.3354
glycylproline 1.4136 0.0612 1.3191 0.9097 0.8155 1.5026 0.7366 0.4807 0.2621 0.8129 0.6018 1.3351 1.2416 1.4111 1.4835 0.8209 0.9752 0.8400 1.9627 1.2797 1.0620 1.7208 1.3268 1.1361 0.4178 0.3341 0.2971 0.5975 1.0000 0.6784 1.3663 1.0772 0.9620 1.9134 0.0695 1.8959 1.5206 1.4444 1.2200 0.6953 0.7346 1.0937 0.6287 0.8693 0.8670 1.2024 1.3773 0.9665 1.2877 1.4434 0.1746 0.2583 0.3528 1.8109 1.2927 1.4920 1.5489 1.0910 0.9430 0.8509 0.5541 0.7840 1.0652 0.8905 1.4439 1.4829 1.0295 1.1480 0.1809 0.1690 0.0510
glycylvaline 1.3288 0.0278 0.8763 0.8834 0.4646 1.0573 0.5019 0.2089 0.4567 0.7081 1.0000 2.1444 1.1559 1.8934 1.2872 0.8020 0.7919 0.5618 0.4592 0.3721 0.3318 0.6227 0.7502 0.7600 0.3011 0.1965 0.2297 1.1805 2.2312 0.8160 2.3334 0.6768 2.2333 1.2580 0.0177 1.1712 1.2932 1.1512 1.2832 0.5103 0.7148 1.8170 1.9675 2.5800 2.4359 1.9055 2.9953 0.5193 1.9408 1.6566 0.0363 0.1044 0.0913 1.1017 1.2810 1.3786 1.0461 1.3506 0.7145 1.7038 1.3220 1.5374 0.5813 1.3695 3.1251 3.6747 0.7847 1.4580 0.0501 0.1155 0.0255
guanidinoacetate 0.2584 0.2775 0.3421 0.4303 0.8078 0.3310 0.6321 0.7595 0.2427 1.4213 0.5938 1.5187 5.8189 2.8551 3.8652 0.5957 1.1232 1.0949 1.2394 0.4513 0.6128 0.7686 0.6082 0.5965 0.5251 0.6586 0.6260 1.1323 1.5577 1.0000 2.6263 4.6449 4.8066 0.4442 2.0166 1.3763 0.1732 0.1396 0.1238 0.3300 0.3026 1.5247 1.1476 1.7407 1.1875 1.1951 1.6653 3.1029 2.7302 3.2872 0.5724 0.8127 0.7282 0.5057 0.1573 0.1811 0.9709 0.6753 0.5759 1.5393 1.2752 1.3717 2.7371 1.7546 1.7605 4.4241 3.1887 3.4150 1.3095 0.4125 1.2765
guanine 13.0109 0.6514 0.5887 5.4242 0.3499 1.1941 0.7827 0.1722 0.2749 1.0100 1.2259 1.1397 0.1617 0.2094 0.0773 1.5229 1.3204 0.6558 0.3395 0.5391 0.5291 0.5409 0.4212 0.2985 0.3407 0.5042 0.1205 1.1105 1.3540 0.6647 1.1283 0.0406 0.2154 2.0438 2.2560 0.3944 18.8094 10.6144 8.9535 8.6095 4.7160 0.9728 0.7242 1.7278 0.7008 0.4344 1.5447 0.0368 0.6759 0.1740 3.8339 1.8110 1.2890 4.3111 5.1621 10.3670 2.0619 1.6767 6.8384 1.6767 1.7860 1.0000 1.1197 0.6396 1.2845 0.2724 0.0593 0.0712 1.5950 1.7847 0.9600
guanosine 5^-monophosphate (5^-GMP) 3.0393 0.0729 0.5952 0.9149 0.0729 1.1986 0.0729 0.0729 0.0729 0.1397 0.1852 0.5360 0.7941 1.6060 1.3690 1.0947 1.4607 7.6190 0.0729 0.0729 0.0729 0.0968 0.3239 0.1054 0.0729 0.0729 0.0729 0.1090 1.3125 0.0729 0.8514 0.5039 0.7278 1.8975 2.0227 0.3384 2.8011 1.4464 0.9295 0.3864 0.0819 0.0729 0.1691 0.3379 1.3327 1.2476 1.1280 1.0437 1.1119 1.4823 1.5438 2.9508 3.0189 0.5480 0.3736 2.9713 0.2384 0.2935 1.0000 0.1661 0.3498 0.0987 0.1776 0.9074 1.9331 1.7897 1.7742 1.3651 4.5950 3.5232 5.3880
hexanoylcarnitine (C6) 1.3572 0.6215 3.6021 2.3846 2.9630 4.2648 0.8823 0.4859 0.3622 0.4424 0.2625 0.6147 0.4198 0.5612 0.6813 2.6268 4.3822 6.6151 2.4919 4.8388 3.2993 1.4406 4.8680 3.2202 0.1993 0.5080 0.6285 0.2106 0.1993 0.2609 0.1993 1.0182 0.9339 0.1993 1.4319 2.2405 0.1993 0.1993 0.1993 0.8153 0.9288 0.7437 0.9577 1.8565 0.1993 0.6404 0.7594 0.7931 1.0314 0.9995 0.4997 8.1873 3.3729 0.1993 0.1993 0.2430 1.5322 1.6067 1.2744 1.1686 0.8195 0.8985 0.3652 0.1993 0.7304 0.1993 1.0005 1.6714 13.5252 5.4524 8.0065
histamine 4.3625 0.1169 5.5734 4.2733 1.0000 3.2993 0.2297 0.1855 0.8905 0.1179 0.0865 0.0505 0.0364 0.0321 0.0321 2.6361 1.1377 2.4221 6.0643 2.1267 1.1897 2.5373 1.4458 0.6765 0.9500 0.1054 0.1309 0.0602 0.0686 0.3308 0.0738 0.0321 0.0645 3.2874 1.4362 1.4056 4.6903 3.9674 3.2948 3.7177 2.3716 1.8080 0.1770 0.1205 0.1643 0.2397 0.1668 0.1009 0.4293 0.0958 2.1049 2.9063 2.3402 4.2048 3.7478 3.0345 2.7758 2.5686 3.0362 0.1661 0.0321 0.2347 0.0321 0.1060 0.0882 0.1188 0.0321 0.0321 2.1635 2.4629 0.7113
histidine betaine (hercynine)* 0.0599 1.9461 2.6975 0.0556 6.4063 1.6323 2.2559 2.2045 6.9072 3.4528 1.2663 0.5021 0.6959 0.3924 0.1801 0.4382 1.0383 0.1042 13.0752 9.3628 9.2872 7.0091 6.1085 4.8433 6.5069 6.6567 2.2871 2.8986 2.7272 1.9440 2.2522 0.7699 1.0552 2.5988 0.6062 1.4088 0.0703 0.1365 0.1342 0.1308 0.1571 5.1133 3.7708 1.0779 2.5394 6.2669 0.9617 0.3063 3.4799 0.3051 1.6924 0.3364 0.2955 0.0929 0.1081 0.0556 0.1268 0.2809 0.1565 1.3149 0.7035 0.7883 0.6920 0.4018 2.5452 0.5919 0.2503 0.4083 0.3935 0.1867 0.0792
histidylalanine 0.4651 0.1308 0.2424 0.4351 0.3179 0.4133 0.7027 0.1727 0.2140 1.2425 2.2992 6.2278 2.4672 5.6797 3.1949 0.1308 0.1308 0.2063 0.1860 0.2679 0.2165 0.3444 0.6739 1.7925 0.1308 0.2726 0.3409 1.7740 4.9769 0.8649 4.4613 0.7785 4.2975 0.7313 0.1308 0.6495 0.6836 0.9893 1.0000 0.2856 0.6508 1.1890 1.6012 2.7274 2.2459 3.3208 3.3351 1.6897 2.9928 3.4223 0.1308 0.1308 0.1308 1.3509 1.5600 0.7876 0.7648 0.8509 0.7509 1.1497 1.2544 0.7977 2.9623 3.6706 5.3785 5.8380 2.2849 2.7323 0.1308 0.1308 0.1308
homocitrulline 1.2394 0.5957 2.0616 0.5582 0.3809 1.6033 1.4708 0.5426 0.3402 1.3694 1.6983 1.1275 1.3971 0.5865 1.0957 1.0000 0.9465 0.2018 2.4100 0.8793 1.3206 1.8653 0.7419 0.6426 1.0835 0.8252 0.4923 0.5181 2.7596 0.8449 1.6615 0.6934 0.5507 1.0949 0.1704 0.9329 1.8108 0.8000 2.1143 1.0191 1.4103 1.4941 0.8330 0.4778 1.8358 1.7201 2.0341 0.5768 2.7814 1.9742 0.4178 0.9908 0.4962 1.8951 0.8644 1.7862 1.0503 0.7867 0.6498 1.2799 1.3762 1.6571 0.8802 0.7036 1.7463 2.4683 1.0362 0.5999 0.6955 0.5879 0.4818
homostachydrine* 1.8596 0.1386 1.0010 0.6590 0.8971 0.0762 1.3369 1.4725 0.4130 0.7206 0.4866 1.7850 2.7556 3.7318 4.0246 1.1181 0.8252 1.3214 0.4163 0.9990 0.3720 0.8716 0.6834 0.4756 0.8290 0.0762 0.2418 0.7896 0.9426 0.7462 2.3462 9.6213 2.5670 6.6953 3.8869 4.3991 0.0762 0.3394 0.1703 0.1385 0.0762 1.2562 0.9680 2.5079 1.2245 6.0711 2.3898 4.9793 10.2314 3.8262 13.2454 1.2878 2.2691 0.4362 0.2671 0.2701 0.9035 0.2589 0.3388 0.7275 0.5116 0.9199 2.8457 2.5404 3.3090 2.0425 1.1006 8.8728 2.2474 0.6631 0.8392
hydroxymethylpyrimidine 1.9647 0.0804 0.2809 0.7366 0.0935 0.2419 0.3696 0.2028 0.1181 0.4223 0.4830 1.8140 2.8768 1.9733 3.6820 2.0472 0.9772 0.6870 0.2780 0.2341 0.1273 0.2165 0.2394 0.1382 0.2693 0.3108 0.2544 0.7536 1.0871 0.2886 2.0557 6.3225 1.8849 3.1707 1.9936 1.0000 3.4222 2.1374 2.0964 1.1797 0.9061 0.6508 0.5991 1.1136 0.8563 1.5213 1.2179 4.2521 5.1542 3.2789 3.7431 0.9573 1.0066 2.4245 2.8177 2.7316 0.9647 0.6466 0.9344 1.1033 0.6605 0.5109 2.9345 1.8509 1.3452 2.8959 3.0631 3.8522 1.8113 0.7661 0.2392
hydroxy-N6_N6_N6-trimethyllysine* 0.8517 0.1571 1.0949 0.5929 0.7474 0.6952 1.4505 1.2127 0.9850 1.0150 1.2008 1.2444 1.2683 1.2472 1.3294 0.1196 0.1644 0.1594 1.0457 1.3318 1.1440 0.6176 0.8657 0.6492 0.9412 1.2593 1.0486 0.9357 0.8408 0.8569 1.0524 1.4174 0.8585 0.2146 0.0281 0.3333 0.6743 0.6569 0.5996 0.5899 0.5582 1.4645 1.2731 1.4729 1.0319 1.4583 1.2525 1.2466 1.1911 1.4527 0.0281 0.1858 0.2046 0.7700 0.4892 0.6529 0.5468 0.6470 0.5386 1.9513 1.9796 1.2269 1.7028 1.2726 1.0286 1.0347 1.0866 1.1010 0.0281 0.1537 0.0281
hypotaurine 0.3218 0.0473 0.1256 1.0000 0.3659 0.1476 1.6306 0.9865 0.1155 1.6254 0.8014 4.9009 11.2568 4.7967 10.9823 0.2159 1.0872 1.8217 0.7671 0.1313 0.1690 0.9233 0.6617 0.3763 0.5423 0.8960 0.9178 3.1098 3.3332 0.8207 7.8298 8.4857 6.5313 0.1307 0.3116 0.6138 0.2919 0.4283 0.3665 0.2973 0.3301 1.1679 1.4712 2.8732 1.4873 1.1490 2.4520 10.5982 2.6240 6.9048 0.0742 1.0214 0.9239 0.4918 0.5510 0.4734 0.5968 1.0750 0.5486 2.8753 2.1613 1.7194 5.8050 4.2298 2.5957 5.0875 8.7814 6.6123 1.5905 0.6648 2.0543
imidazole lactate 1.0247 0.3976 1.2564 0.4025 1.4071 1.4053 0.4824 0.7808 0.4399 1.2111 0.6949 0.5017 0.4337 0.4438 0.3656 0.4098 0.5794 0.2147 3.7583 2.3059 2.7689 2.1135 1.6079 1.6399 0.8479 0.6537 0.4005 0.7445 1.1712 1.1670 0.9805 0.4495 0.6112 1.1565 0.4608 0.9976 4.1739 2.7270 2.5636 3.7921 3.3735 2.0312 1.3077 1.0000 1.4292 1.4102 1.4752 0.4323 1.1884 0.7748 0.7828 0.9989 1.4214 1.0978 2.4638 2.5255 0.9497 3.0261 2.0127 1.3515 1.1413 1.2192 0.5431 0.7541 1.4311 0.7522 0.4818 0.3851 0.3644 0.7231 0.1072
imidazole propionate 5.3754 1.0786 4.5734 0.3770 3.4982 3.1221 0.0691 0.0661 0.0880 0.4234 0.0804 0.4089 0.6663 0.3314 1.0312 1.8765 1.8126 8.6730 4.8180 4.1522 2.8014 2.6208 2.9208 1.4230 0.0545 0.0645 0.0396 0.1572 0.8074 0.0869 0.6091 2.8971 0.2559 3.4841 3.1403 1.0615 3.3311 2.0352 1.1916 0.6563 0.2146 0.1936 0.0918 0.3942 0.4946 0.7529 0.4755 1.1545 2.6756 0.9585 5.7433 6.6692 5.1099 2.1994 4.8054 11.3017 1.6452 2.8967 0.6246 0.1071 0.0880 0.1162 0.2183 0.3475 0.7125 1.0000 1.8030 0.9524 4.0489 9.2691 0.5460
inosine 2.7883 0.0307 0.4633 1.2445 0.3369 0.5150 1.5268 0.8274 0.3044 1.6998 1.7312 3.1131 0.6301 3.0738 0.6750 0.8382 0.4233 1.8775 0.2976 0.2172 0.2981 0.3380 0.3432 0.4951 0.5309 1.0000 1.1765 2.7901 2.5721 1.2552 3.2002 0.2938 2.2537 0.9598 0.5449 0.7057 1.5357 1.3616 1.2211 0.6087 0.2414 1.6778 1.4205 2.5323 1.9926 2.1455 2.5831 0.4355 1.4764 1.4733 0.3765 0.1637 0.0647 2.0369 1.8860 1.5089 0.4988 0.5282 0.8408 2.2290 2.2134 1.5979 1.3166 2.1371 3.1146 3.6494 0.6579 0.8727 0.4668 0.2169 0.6046
isoleucine 0.9713 0.3405 1.1635 0.7998 0.4378 0.9052 1.2999 1.0209 0.6634 1.5316 1.4111 1.5417 1.5761 1.4938 1.4634 0.4971 0.4781 0.5143 0.8013 0.9116 0.4527 0.6674 0.7570 0.4535 0.9193 1.1239 1.1147 1.4399 1.5966 1.2545 1.5155 1.3418 1.4792 0.5127 0.1051 0.6280 0.9830 0.9090 0.9752 0.6591 0.8763 1.3948 1.3002 1.4898 1.3148 1.3474 1.6156 1.4300 1.3673 1.5563 0.2261 0.4049 0.4673 0.7718 0.8818 1.0000 0.6841 0.8048 0.7608 1.5083 1.5454 1.3780 1.6205 1.5203 1.4942 1.2564 1.5445 1.3000 0.1689 0.3870 0.0956
isovalerylcarnitine (C5) 1.2740 0.1675 1.9114 1.4017 1.1514 1.7830 0.1127 0.2903 0.1127 0.2904 0.1456 0.8632 1.2246 0.5828 1.6985 0.6434 0.6276 1.0912 1.1179 1.8703 1.1136 0.6548 1.2915 1.0953 0.1127 0.2472 0.2811 0.1127 0.3320 0.3493 0.4503 1.4066 0.8376 0.4030 0.2234 0.9090 0.1127 0.1127 0.1127 0.1127 0.1127 0.9786 1.0143 2.3959 0.5707 0.9914 1.7904 1.6510 1.8373 2.6223 0.1127 0.2880 0.3154 0.1127 0.1127 0.1127 1.0029 1.7234 0.7864 1.1922 0.8665 1.0584 0.4445 1.0000 1.0298 1.3876 1.6417 2.4114 0.1127 0.3493 0.1127
kynurenine 0.5957 0.2156 1.0000 0.7192 0.4622 0.7069 3.0524 1.4309 0.9448 3.4439 3.6094 7.1617 4.0115 8.1776 5.4147 0.4742 0.4301 0.2785 0.8598 0.7958 0.3653 0.6795 0.8556 0.3996 1.5992 2.0944 2.0756 3.7875 5.3228 3.0275 4.7119 8.4512 5.0692 0.4260 0.2424 0.4212 0.8407 0.7951 0.7345 0.4939 0.7085 2.7512 2.8328 3.0913 3.1306 2.5469 3.8771 8.5245 2.2305 3.1584 0.2942 0.4961 0.3064 0.5899 0.8271 0.9301 0.5095 0.8565 0.6200 3.8299 4.1240 3.5916 8.5700 7.1512 5.2985 3.7421 7.4187 6.3925 0.2958 0.4029 0.3560
leucine 0.9191 0.1791 0.7571 0.6802 0.3200 0.6099 1.3877 1.0029 0.5697 1.7281 1.6117 2.6950 2.0908 2.9154 2.0943 0.4594 0.4476 0.5611 0.5534 0.6376 0.2897 0.4367 0.5771 0.4393 0.8187 1.1580 1.2188 2.0484 1.8895 1.2346 1.6298 2.4192 2.5719 0.6394 0.0799 0.7024 1.0000 0.8602 0.9095 0.5298 0.7622 1.7654 1.7359 2.4477 1.8391 2.1145 2.4188 2.7536 1.7917 2.1581 0.1956 0.4391 0.4902 0.7472 1.0057 0.9574 0.6082 0.9205 0.7428 2.0526 1.9920 1.7605 2.1347 2.7825 2.3937 2.2501 2.0920 2.5596 0.2430 0.4528 0.1511
leucylalanine 3.5244 0.1522 0.5023 1.5721 0.8562 1.1087 0.1084 0.1084 0.5871 0.1084 0.1084 0.1084 0.1084 0.1084 0.1084 6.3306 3.8172 8.9389 0.3524 0.4931 0.5106 0.8738 0.4151 2.0779 0.1856 0.1084 0.1084 0.1084 0.1084 0.1084 0.5190 0.1084 0.3218 9.0114 1.4103 8.6314 5.3568 5.8853 10.2410 2.4442 3.2905 0.1084 0.3106 0.1084 0.3123 0.1084 0.1084 0.1084 0.5437 0.1084 0.6920 0.8913 0.8065 14.3020 16.6685 9.0028 10.5069 3.1275 2.6972 0.1084 0.1084 0.1084 0.1084 0.1084 0.2453 0.5527 0.1084 0.2750 5.3429 0.7717 3.9273
leucylglutamine* 2.1567 0.0199 0.2143 0.8071 0.1281 0.2906 0.1654 0.0480 0.1199 0.1428 0.2920 1.1711 0.8670 1.4290 2.0965 4.0665 2.9135 3.9226 0.2105 0.1463 0.1683 0.3160 0.2586 0.2477 0.1238 0.0780 0.0824 0.2752 0.9553 0.1914 1.7573 1.1099 1.3834 9.3278 0.1779 4.7265 3.6989 4.7451 3.0385 1.0754 1.7784 0.3808 0.6944 0.4198 1.4034 1.1565 0.3911 0.6460 1.9134 1.3079 0.1422 1.1625 0.3115 4.8598 5.0939 3.9210 2.7096 1.5465 1.7682 0.3246 0.2137 0.1920 0.4030 1.0000 1.3294 3.5261 1.0103 1.8388 2.4233 1.0115 1.9613
leucylglycine 4.9577 0.0999 0.5633 2.6549 0.7119 1.5055 0.2081 0.1381 0.3423 0.2133 0.3070 1.0443 1.0000 1.0770 1.6228 3.2534 1.7397 3.9653 0.5449 0.6157 0.5037 0.9911 1.1087 1.6590 0.1914 0.1502 0.1849 0.4011 0.8408 0.3106 2.0977 0.9539 1.8983 4.8257 0.1342 3.6228 6.7284 8.9721 7.8289 2.6866 4.0092 0.5064 0.7054 0.6757 1.3038 1.2283 0.6910 0.3956 2.1917 1.5093 0.2285 0.4650 0.4534 8.8620 11.6771 7.9736 5.0589 5.0613 4.6177 0.4527 0.3954 0.5365 0.3542 0.6887 1.7089 5.8760 0.9516 1.5409 1.4436 0.9281 1.3772
leucylhydroxyproline* 1.1064 3.5270 16.0505 0.9807 5.4611 7.5750 2.0070 1.5546 2.0701 2.3236 1.8624 0.6684 0.4759 0.5898 0.0350 0.3811 0.6227 0.3909 17.7182 15.0380 10.5096 8.2344 5.7188 3.8381 2.6268 2.5675 1.0148 1.4103 1.6271 1.3997 0.9852 0.8070 0.4584 0.5563 0.0350 0.7900 0.6125 0.7241 0.5992 0.1705 0.4309 3.8609 2.5236 1.4389 1.6791 2.7880 2.3263 0.3711 1.3015 0.5423 0.0574 0.3406 0.3104 1.4101 0.5810 0.6339 0.8361 0.5453 0.3501 2.7062 1.1180 2.4370 0.6715 0.8676 2.3692 0.4184 0.0350 0.2211 0.1411 0.2661 0.0350
lysine 0.8254 0.2843 0.4688 0.5874 0.4517 0.3970 1.0000 0.7334 0.4024 1.2246 1.2528 2.1112 2.0662 2.4252 2.0275 0.5510 0.4606 0.5736 1.0248 0.7275 0.6803 0.7061 0.6117 0.5844 0.5958 0.8405 0.8852 1.3263 1.7391 0.9565 1.7613 1.9066 2.0259 0.7988 0.0919 0.7236 1.0473 1.0497 0.9812 0.5976 0.6396 1.2278 1.2001 1.7814 1.3240 1.6226 1.6425 2.2520 1.7111 1.9735 0.2253 0.4142 0.4234 1.1322 1.3223 1.2419 0.7051 0.8028 0.8307 1.4814 1.4188 1.1711 2.0067 2.1235 1.8047 1.7798 2.1306 2.1932 0.1121 0.4823 0.0727
lysylalanine 0.3527 0.0427 0.3056 0.2921 0.2001 0.1984 0.8690 0.1818 0.2219 1.0346 2.2853 4.8743 1.8396 4.8837 2.8255 0.3160 0.4608 0.9048 0.3599 0.2982 0.2376 0.2747 0.3329 0.3099 0.3299 0.2281 0.2585 1.8947 3.8967 1.3493 8.2365 1.2311 3.2726 1.7820 0.0427 0.8205 0.6563 1.4061 1.1823 0.3634 0.3134 1.1460 2.2067 3.3957 4.8747 3.8196 2.8714 1.3023 3.4905 2.5784 0.1191 0.3356 0.1199 2.8439 2.1833 1.4061 1.1804 0.8928 0.5869 1.4397 0.9654 0.8618 1.9614 3.0622 7.4637 9.9285 1.8052 2.3649 0.1896 0.2669 0.1747
lysylleucine 0.4009 0.0677 0.2837 0.3582 0.3862 0.1905 0.1738 0.0677 0.0872 0.3012 0.4669 1.9730 1.1632 2.2527 1.7098 1.5669 1.5628 3.0359 0.2941 0.2612 0.1992 0.4096 0.4320 0.4685 0.0835 0.0770 0.0813 0.4657 1.1718 0.3502 3.6053 0.9695 2.5488 5.2647 0.4574 2.0134 0.7588 2.2743 1.1851 0.3209 0.4313 0.3565 1.2132 0.8388 3.0409 2.1359 0.6671 1.1753 2.2615 1.5469 0.6795 2.5957 2.1508 6.0191 3.9622 1.6773 2.6264 1.9710 1.0305 0.3840 0.2675 0.2858 0.9112 2.1491 2.3830 5.9541 1.2463 1.5074 1.4528 2.4900 0.7391
malonylcarnitine 1.0816 0.2417 1.6392 0.9836 0.5693 0.8332 0.7741 1.5304 0.3792 1.3125 0.9316 1.2470 1.0164 1.3042 1.1707 0.3227 0.3861 0.4056 1.2010 1.2485 1.6633 0.6844 0.7569 1.3324 0.7017 0.7962 1.2566 0.6338 0.8145 1.7829 1.0909 1.0494 1.0639 0.2417 0.2417 0.6414 1.1212 0.6710 0.2417 0.2417 1.5384 0.9191 0.5431 1.3928 0.8647 0.5899 0.6379 1.2730 0.9112 1.1870 0.2417 0.4802 0.2417 1.3344 0.8592 1.5719 1.2569 1.6928 1.5173 1.3514 0.8361 0.9226 1.2304 1.0730 0.9076 0.9182 1.4294 1.4409 0.5664 0.2417 0.7791
methionine 1.1144 0.1147 0.4581 0.5593 0.1686 0.3203 1.1576 0.7159 0.2374 1.5917 1.6095 2.6357 3.0789 3.1520 3.1663 0.3356 0.2229 0.2427 0.3399 0.3167 0.1708 0.2857 0.3117 0.1992 0.5292 0.8151 0.8708 1.5545 2.6505 0.9943 2.7110 2.4096 2.5386 0.5728 0.2676 0.3493 1.0672 0.8983 1.1263 0.4979 0.5707 1.3328 1.3201 2.0318 1.8700 1.9480 2.0736 2.7474 2.3542 3.0537 0.6414 0.3265 0.2962 1.0000 1.0874 1.2801 0.4858 0.5370 0.5290 1.7798 1.9235 1.2881 3.0648 2.6745 2.1930 2.0800 3.0401 2.6278 0.2062 0.1860 0.1056
methionine sulfone 0.8556 0.1656 0.7916 0.5853 0.1278 0.5031 0.7116 0.5516 0.8267 1.9284 1.6230 4.8735 2.0826 2.9083 2.6675 0.2172 0.2291 0.2383 0.5017 0.4349 0.2121 0.2896 0.2728 0.0870 0.3861 0.5874 1.0577 1.2641 2.8858 0.6478 2.9394 1.3173 3.3938 0.5790 0.3478 0.2533 0.8697 0.9962 0.9258 0.7476 1.0038 1.4908 1.3402 3.2743 2.4661 2.5382 2.6709 1.6908 2.3785 2.8193 0.6978 0.2957 0.2299 1.1343 1.7168 0.9542 1.2338 1.3656 1.5163 3.2539 2.6612 1.7907 3.1434 4.0818 2.6848 2.4941 2.1311 0.9330 0.2206 0.3571 0.0870
methionine sulfoxide 1.3357 0.2121 0.7712 0.7478 0.3080 0.5736 0.8569 0.5969 0.5908 1.3549 1.5174 1.5016 0.7998 1.3883 1.2376 0.5469 0.5232 0.7422 0.9213 0.7519 0.4117 0.5309 0.4990 0.3255 0.5347 0.8199 0.7301 1.0419 1.5476 0.7638 1.4305 0.9283 1.2089 1.4225 0.5538 0.8373 1.0002 1.2748 1.2669 0.6851 0.9430 1.2140 1.0741 1.4379 1.4193 1.6548 1.4673 0.9240 1.4635 1.1485 0.9996 0.6983 0.3793 1.6060 1.6926 1.2556 1.2482 1.2549 1.3222 1.2816 1.1383 1.1495 1.0740 1.3569 1.5031 1.4198 1.0000 0.8384 0.4662 0.7036 0.1713
methylphosphate 4.3748 0.7037 5.0586 1.7106 2.4393 1.8284 0.4152 0.2101 0.1428 0.5428 1.6645 2.4278 7.6766 6.2989 9.5402 0.3782 0.4993 0.4020 4.5258 11.5257 3.3403 1.4524 3.5261 1.3557 0.1244 0.4802 0.4018 1.0125 3.5058 0.2897 3.7114 12.3313 5.3586 0.2711 0.0856 0.3644 2.3186 1.5496 1.5483 0.3793 0.8528 0.4008 0.5038 0.8715 0.7701 1.0000 0.7767 9.1747 4.8900 5.1822 0.3087 0.7764 0.8987 0.7251 0.7344 2.5056 0.4887 0.5464 0.6108 0.7901 1.4674 0.3178 2.9386 1.8859 1.2485 3.6132 8.2155 5.9989 0.1823 0.6077 0.0751
N(^1)-acetylspermidine 1.4048 0.1228 1.0819 0.5267 0.5767 0.5631 1.0389 0.9181 0.9796 0.8269 0.8850 1.3250 0.6172 1.2245 0.9311 0.3239 0.3963 0.2983 1.9813 1.1928 1.3910 0.6808 0.5152 0.5902 1.2477 0.5174 0.7124 0.9361 0.6109 1.1287 1.1441 0.7947 0.8370 0.4925 0.1100 0.4593 2.5325 1.7521 1.5362 0.8472 0.4764 3.2646 2.2526 2.7085 1.7529 1.4512 1.6137 1.3963 0.9008 0.8853 0.7362 1.7064 2.2390 1.3524 1.9044 3.1673 0.6243 0.6696 0.4920 2.4620 1.6861 2.2769 2.0438 1.8303 1.9208 1.0000 1.2834 1.0313 0.8349 1.5141 0.1963
N1-methyl-2-pyridone-5-carboxamide 0.1253 0.9765 2.2718 0.1253 2.9667 1.9047 0.8789 1.2420 2.0067 1.6013 1.8443 1.0208 0.9227 0.9018 0.1253 0.9065 1.1138 0.6209 4.5239 2.7104 2.6482 2.1882 2.2271 2.2011 2.0198 1.9249 1.3295 2.4046 1.3057 1.6903 1.4227 0.9696 1.2047 0.8797 0.8559 0.9587 0.1253 0.1253 0.1253 0.1294 0.2892 1.0613 0.9076 1.0044 0.6034 0.9183 1.1007 0.4494 0.7383 0.1253 0.1631 0.4333 0.4641 0.1253 0.1253 0.1253 0.2998 0.5377 0.1253 1.7673 1.2894 0.8652 0.1253 1.1582 0.5383 1.8117 0.8757 0.5893 0.9956 0.4307 0.2636
N1-methyl-4-pyridone-3-carboxamide 0.0855 0.4969 2.6990 0.1898 2.8538 1.8762 0.9844 1.5688 2.1775 1.3647 1.2911 0.7114 0.4676 0.8679 0.7576 0.9736 1.3655 0.9757 2.8034 3.9678 1.9358 1.5380 2.7348 1.3180 1.4867 1.4511 1.3072 2.3912 0.9185 1.1803 1.6967 0.9306 1.0600 0.6963 1.0156 1.2887 0.0855 0.3679 0.0855 0.1925 0.2957 0.8050 1.1243 1.1807 0.7001 0.9239 0.7131 0.5120 0.6475 0.4727 0.2472 0.6468 0.8242 0.7990 0.5348 0.0855 1.0444 1.2311 0.1599 1.5172 1.0820 0.7704 1.2015 1.0419 0.4552 1.6173 0.6015 0.5709 1.1013 1.2833 0.2327
N1-methyladenosine 1.0000 0.1573 2.9529 0.4324 2.7750 1.9832 2.0645 2.3858 2.7881 2.4662 1.3440 1.4994 1.2156 1.1337 1.3173 0.4684 0.7728 0.2875 3.4727 3.0174 4.3751 2.3478 1.9946 3.1098 3.0592 3.1747 1.9616 1.2082 1.6356 2.6695 1.2901 1.0086 1.6598 0.5523 0.0741 1.8170 0.2167 0.1863 0.1383 0.0410 0.0433 0.6836 0.3876 0.7508 0.3223 0.7142 0.9156 1.0024 0.7010 0.6011 0.0410 0.0410 0.0410 0.1774 0.1406 0.1775 0.0410 0.0410 0.1027 0.5144 0.2649 0.3886 0.3975 0.5769 0.8479 0.7336 1.1564 1.0467 0.0410 0.0410 0.0410
N1-methylinosine 0.1158 1.2660 1.0330 0.1158 2.4094 0.1158 2.2533 0.1158 5.4857 1.9771 2.6354 0.1158 0.2739 0.3827 0.1158 0.1158 0.2668 0.1158 2.3727 1.9054 3.2528 1.1990 0.6556 1.9264 3.0593 5.9287 3.9280 3.0555 1.3393 3.0083 0.1158 0.2064 0.7873 0.2412 0.1158 0.1158 0.1158 0.1158 0.1158 0.1158 0.1158 0.7892 0.5552 0.8464 0.2644 0.2685 0.4822 0.1158 0.2113 0.1158 0.1158 0.1158 0.1158 0.1158 0.1158 0.1158 0.1158 0.1158 0.1158 0.9670 1.6145 0.1158 0.1158 0.2385 0.1158 0.1158 0.1750 0.1754 0.1158 0.1158 0.1158
N1_N10-dicoumaroylspermidine 0.2242 0.2808 1.3568 0.1617 2.7780 2.0361 1.2483 1.7094 2.5915 1.7568 1.5406 0.2871 0.3978 0.3979 0.0365 1.0483 1.3453 0.4581 1.8477 2.4749 2.5076 3.4099 3.0018 3.7200 3.0032 3.0071 1.4408 2.0878 1.8505 1.9686 1.2139 0.4052 1.0908 2.4069 1.1583 2.2276 0.0365 0.0365 0.0365 0.0365 0.0365 1.3415 0.7934 0.3085 1.0392 1.4906 0.9962 0.0365 1.0000 0.2448 0.7115 0.1140 0.2778 0.0365 0.0365 0.0365 0.0954 0.0517 0.1151 0.2369 0.3271 0.1474 0.3758 0.2159 0.8431 0.8087 0.0365 0.1497 0.5597 0.0956 0.0833
N2_N2-dimethylguanosine 0.0439 0.8953 5.9756 0.1366 4.6487 3.5047 1.9079 3.6997 5.0596 2.2116 2.3573 0.4224 0.4763 0.5182 0.2803 0.3776 0.5753 0.0439 7.2056 6.0687 6.5890 3.3836 3.7130 3.7899 4.7894 5.4318 3.2461 1.8196 1.6640 2.2520 1.0568 0.3570 0.8819 0.6620 0.0439 1.5178 0.0439 0.0439 0.0439 0.0439 0.0439 1.6003 1.2878 0.7777 0.5228 0.9432 1.0581 0.1603 0.7921 0.3475 0.0439 0.0439 0.0439 0.0439 0.0439 0.0439 0.0439 0.0439 0.0439 1.5157 0.9167 0.7448 0.3238 0.2328 0.7959 0.5209 0.3253 0.3607 0.0439 0.0439 0.0439
N6-carboxymethyllysine 1.0006 0.4105 2.1252 0.6551 1.2204 1.5492 1.6290 1.3673 1.0490 1.3882 1.9227 1.6477 1.3202 1.3709 0.8611 0.1489 0.2304 0.2032 3.4429 3.0929 2.4888 1.6590 1.8583 1.4166 1.4505 1.3575 1.0507 1.3708 1.8560 1.1376 0.9813 0.7808 1.0000 0.4963 0.0291 0.6732 0.5280 0.4033 0.3946 0.1745 0.2353 1.5217 1.3872 1.4560 0.9904 1.4708 1.2295 0.5189 0.5408 0.3866 0.0502 0.0961 0.0766 0.5544 0.6089 0.5643 0.2563 0.2254 0.2406 2.6188 2.3754 1.7694 2.5848 1.8155 1.0488 0.6501 0.5460 0.5005 0.0620 0.1872 0.0295
N6-methyladenosine 7.3946 0.3258 3.1979 2.4400 1.9338 2.5379 0.3817 1.8149 0.5187 1.6351 1.0039 0.2713 0.2713 0.2713 0.2713 0.6068 0.6874 0.2713 2.9608 4.8594 1.8579 1.9519 3.7323 1.3048 1.4748 0.4869 1.1034 1.1301 0.5367 1.1683 0.3567 0.2713 0.2713 1.0702 0.3469 0.8374 4.0627 1.7198 1.5240 1.0000 0.2713 0.7228 0.2894 0.8800 0.5324 0.2926 0.8854 0.2713 0.2713 0.5182 0.2713 0.2713 0.2713 0.6098 0.9953 3.0381 0.2713 0.2713 1.0543 0.6476 1.1806 0.6952 0.2713 0.7970 0.5306 0.2713 0.3115 0.2713 0.2713 0.2713 0.2713
N6-methyllysine 1.1898 0.2793 1.0363 0.9594 0.6972 0.6538 1.0819 0.8783 0.3852 1.0665 0.9464 1.6113 2.1505 1.5048 1.8447 0.4976 0.5528 0.5798 1.3290 1.0647 1.0218 0.7538 0.7535 0.5901 0.7420 0.8841 0.7638 0.9833 1.3726 0.6181 1.1592 1.6937 1.4377 0.3474 0.2089 0.5800 0.8786 0.9208 1.0744 0.7558 0.6803 1.1104 0.8899 1.7742 0.8700 1.3737 1.3008 2.0914 1.3256 1.6377 0.3315 0.6734 0.4778 1.2323 1.0564 1.1107 1.0091 0.8804 0.7895 1.3569 1.4552 1.1813 1.9564 1.6987 1.3540 1.0000 1.9543 1.6212 0.5899 0.7851 0.4859
N6_N6-dimethyllysine 0.0266 0.0552 0.5495 0.0388 0.1275 0.3328 0.8857 0.6412 0.0350 1.2703 1.3301 2.6950 3.6680 2.8237 3.1739 0.0266 0.0266 0.0266 0.3499 0.3868 0.2157 0.2629 0.3516 0.0736 0.3209 0.9466 0.8202 1.2376 1.9879 0.5940 1.9431 2.6167 2.5949 0.0266 0.0266 0.0266 0.0458 0.1532 0.2107 0.0266 0.1306 1.0534 1.1599 2.3924 1.1615 1.9710 1.6713 3.6125 2.0941 2.8310 0.0266 0.0266 0.0266 0.3400 0.3212 0.2988 0.0620 0.3883 0.2063 1.7514 1.8894 1.1132 3.4227 2.9682 1.9745 1.4178 3.2862 2.9333 0.0266 0.0266 0.0266
N6_N6_N6-trimethyllysine 1.2671 0.2205 1.9797 0.9423 0.7782 1.4929 1.0000 0.4842 0.5393 1.2902 1.7024 2.2807 2.8454 2.5487 2.2925 0.4314 0.3024 0.4549 1.7433 1.7019 0.9907 0.9319 1.2055 0.7069 0.5130 0.7859 0.5793 1.3919 2.1679 0.7990 1.8266 2.1097 2.2294 0.6527 0.0933 0.5837 0.4165 0.4507 0.4584 0.1711 0.2792 1.4371 1.3363 2.1338 1.1681 1.8090 2.0237 2.7872 1.8886 2.3504 0.2025 0.1279 0.1276 0.5936 0.6229 0.5033 0.4442 0.4724 0.2973 1.8583 2.0036 1.3769 2.5769 2.6241 1.8026 1.3414 2.5655 2.1139 0.0729 0.2300 0.0206
N-acetyl-1-methylhistidine* 1.8371 0.4086 2.5964 2.3456 1.0420 1.8477 0.8695 0.9565 0.0268 0.0268 0.6235 0.5307 0.0268 0.0268 0.2763 0.0268 0.5487 0.8491 3.6058 2.8793 1.6434 1.9808 0.0268 1.7103 0.9820 0.0268 0.2996 0.4064 0.6282 1.1133 0.3991 0.0268 0.4949 1.0000 0.2891 0.7245 2.4830 2.7928 0.8985 2.1723 3.0489 1.3789 1.1037 1.0643 1.6749 1.5758 0.8227 0.0268 0.0268 0.2979 0.0268 1.3090 0.0268 2.7915 0.2440 1.9252 1.7863 0.0268 2.0663 1.0310 0.3007 1.0594 0.2922 0.8791 1.1358 0.4070 0.2826 0.0268 0.2938 0.0268 0.0689
N-acetylarginine 0.9838 0.4300 3.1854 0.5957 1.8115 2.0409 1.0586 1.5753 1.7217 1.3457 1.2203 0.7419 0.9260 0.7410 0.8078 0.4253 0.3987 0.1607 4.4443 1.9611 2.6376 2.0471 1.1740 1.4767 1.8879 1.6486 1.1585 1.0000 0.9504 1.0544 1.1464 0.9809 0.8245 0.7899 0.1388 0.7044 0.9093 0.8019 0.9692 0.3529 0.3923 1.6686 1.1286 0.9029 1.0588 1.5983 0.8976 1.0578 1.5607 1.1411 0.3955 0.2831 0.1357 0.7429 1.0377 1.5958 0.3426 0.2814 0.3685 1.3913 1.0803 1.1191 0.7091 0.8339 1.3375 1.2917 1.2005 1.3934 0.1921 0.2635 0.0453
N-acetylasparagine 3.2170 0.3786 1.2747 2.1070 0.9205 0.6823 0.7459 0.7791 0.3457 0.6782 0.5620 1.2519 0.9453 1.0000 0.7611 0.3122 0.4935 0.8324 1.4574 1.3865 1.4203 0.5922 0.8355 0.5480 0.3533 0.3022 0.3865 0.3596 0.6760 0.6008 0.7125 1.5072 0.6846 0.3844 0.1476 0.4290 2.9176 2.4217 2.9360 1.5572 2.8126 1.1173 1.0957 1.2718 1.2121 0.6215 1.5582 1.1733 0.9622 1.6055 0.3426 0.5096 0.5547 2.5431 4.1862 3.3908 2.1153 2.6650 1.5362 1.9540 1.5588 2.0241 0.8344 1.8076 1.3025 2.1789 1.5457 1.4655 0.2920 1.1259 0.1848
N-acetyl-cadaverine 5.0390 0.1879 2.5967 4.5141 0.8485 2.2901 0.9726 0.4000 0.2868 0.4594 0.7277 0.9210 0.1061 0.1628 0.5559 0.7323 0.4380 1.6075 4.2058 1.6961 1.2898 2.4486 1.2515 0.8315 0.6760 0.2536 0.2282 0.6229 0.2577 0.5279 0.7076 0.0688 0.2096 1.4174 0.1167 0.7013 4.9618 5.4616 4.7666 4.0280 4.8599 1.9918 2.4116 1.7566 2.6077 1.2146 1.9557 0.5973 0.5500 0.8967 0.4982 1.4307 1.6603 4.3052 5.9915 4.1077 3.2166 5.2576 3.8918 1.5671 1.0000 2.1705 0.3876 2.1839 1.3538 0.3923 0.8159 0.1385 0.3527 2.3894 0.1569
N-acetylcitrulline 0.2255 0.2213 1.9208 0.1393 0.7695 1.4612 0.3910 0.7433 0.1030 1.3797 0.4551 1.3400 2.3599 1.2831 2.0868 0.4636 0.2971 0.1528 0.8672 1.7628 1.3135 0.4534 1.3257 0.8282 0.3371 0.3623 0.3837 0.7082 0.8013 1.2806 1.6248 2.1630 1.8220 0.1180 0.2023 0.6988 0.8254 0.9072 0.8214 0.5116 0.7153 1.2229 1.5085 1.0493 1.4225 0.6963 1.4272 2.1063 1.9895 2.3081 0.1030 0.2759 0.3128 1.1829 1.0000 0.7850 1.2045 1.0795 0.5970 2.2280 1.2664 1.4150 1.1969 1.2672 1.4540 3.0148 2.8340 2.5418 0.1553 0.2034 0.1030
N-acetylcysteine 0.7526 0.1762 0.7586 0.7761 0.5932 0.7406 0.8215 0.4473 0.8757 0.8874 1.2490 1.9145 1.0000 1.2502 1.2723 0.3006 0.2888 0.7352 0.6099 1.1200 0.8547 0.3806 1.1716 0.5930 0.8020 1.0530 0.8823 1.2222 1.6005 0.8474 1.8323 1.1357 1.2272 0.1762 0.1762 0.2765 1.2245 1.3522 1.0529 0.9665 0.9564 0.8428 1.2999 0.9844 1.6931 1.6474 1.2022 1.2975 1.5004 0.7726 0.7864 5.2964 4.1517 0.9747 1.0638 1.2568 0.6548 0.8567 0.9537 1.2906 1.0452 0.8471 1.2016 1.6603 1.7998 1.7186 1.2912 0.9489 1.4513 4.1959 0.7682
N-acetylglucosamine/N-acetylgalactosamine 1.0261 1.8150 6.8838 0.6158 4.2282 5.5528 0.3046 1.0205 0.1645 0.8861 0.9242 0.5046 1.0566 1.1617 0.7936 1.4317 1.7584 0.3577 13.5282 8.2600 10.9893 7.2185 6.1054 6.8454 0.5629 0.1354 1.1669 0.6282 0.3095 2.4763 1.0704 1.0728 1.7075 3.0593 0.0115 5.4393 1.2188 1.1971 1.5411 1.2508 1.3776 0.2502 0.3238 0.4032 0.2503 0.2209 0.3350 0.9919 0.4780 1.0263 0.1487 0.3564 0.3480 1.2101 1.3649 1.8494 1.1590 1.0081 0.8915 0.5280 0.4283 0.3957 0.7619 0.5342 0.3812 0.7136 1.0209 0.9208 0.0115 0.4020 0.0718
N-acetylglucosaminylasparagine 0.8109 3.4199 50.7543 0.0766 12.6219 39.0534 2.4595 10.2708 3.8151 6.6813 11.8587 0.8160 1.4589 2.1705 0.5036 6.1888 3.7861 0.0766 55.3915 18.8083 56.9652 27.4005 11.7564 34.0227 14.5203 1.8321 11.4387 9.0941 0.4390 24.7384 5.0479 0.2250 7.7215 9.1949 0.0766 17.6759 0.3063 0.2783 0.3948 0.1347 0.3101 5.0552 1.8440 4.2150 0.7758 0.9467 0.8696 0.3306 0.2249 0.3913 0.0955 0.2344 0.2785 0.2800 0.1869 0.6238 0.1879 0.1605 0.1970 3.9411 4.8846 5.0871 1.0000 0.8623 0.7689 0.2913 0.4468 0.3260 0.2542 0.2183 0.1727
N-acetylglutamate 7.5346 0.0856 1.2464 2.5800 0.0208 0.9205 0.3409 0.1492 0.0208 0.3364 0.4127 0.8535 1.6948 1.1282 1.4241 0.3190 0.3657 0.2947 0.2928 0.4623 0.1660 0.1315 0.3743 0.1133 0.0820 0.2088 0.1643 0.3960 0.8647 0.1618 1.1470 1.4728 0.9532 0.2982 0.2653 0.4786 12.3850 10.1183 9.1491 3.6945 3.7499 1.4303 0.9155 2.1262 0.7453 1.1474 1.0468 1.5309 1.1041 1.5281 0.7029 1.7229 0.8378 6.7104 8.4784 12.0862 1.5879 1.3247 3.0004 1.4551 2.4655 2.8163 0.9341 0.9144 1.1560 1.4011 1.9380 1.7848 0.4888 2.5425 0.3311
N-acetylhistamine 12.2947 0.1005 3.2897 9.4265 0.4441 2.5692 0.7068 0.1255 0.1038 0.3525 0.4504 1.1574 0.0999 0.1598 0.8543 1.2273 0.4818 3.1434 1.1022 1.6834 0.8814 0.6747 1.3641 0.6431 0.1284 0.1396 0.0705 0.1512 0.4232 0.2273 0.3025 0.2571 0.1498 0.9541 0.5246 0.7158 11.1722 13.3687 12.6593 9.1674 13.1672 1.0000 1.8446 1.4392 2.2808 1.5874 1.1393 0.5896 0.7648 0.6469 1.7775 3.8608 3.4791 11.6394 10.6563 12.1861 8.3554 7.6351 11.0106 1.1948 0.5254 1.5783 0.3538 1.9255 1.5032 0.5080 1.0814 0.2537 0.8788 4.4923 0.3478
N-acetylhistidine 0.3853 0.8950 1.0612 0.1617 3.0270 0.8262 1.0003 2.3356 2.6355 1.8666 1.0000 0.5616 0.4191 0.3258 0.2102 0.2271 0.7573 0.1175 5.4327 3.3327 4.1799 3.5137 2.3478 2.9812 3.4423 2.9897 1.5250 1.3372 1.3517 2.0704 1.0461 0.3659 0.7933 1.2597 0.3824 1.2892 1.3402 1.5003 1.4311 0.6157 0.8023 2.9486 2.1092 1.1002 1.4216 1.9715 0.9278 0.2166 1.1935 0.3211 0.6368 0.3608 0.3018 0.9838 1.6998 1.9225 0.5613 0.8653 0.7539 2.1877 0.8649 1.7660 0.5779 0.7520 1.6615 0.8729 0.2454 0.2944 0.2528 0.4324 0.0613
N-acetyl-isoputreanine 1.4743 0.2740 1.5065 1.1660 0.8250 0.7652 1.4074 1.1428 0.6496 1.4166 1.2788 2.5154 1.0000 1.6318 0.9234 0.1801 0.2124 0.3310 1.7108 1.8279 2.2615 0.7781 1.4943 1.2778 0.8709 1.4036 1.5455 1.0891 2.4337 1.7111 1.0511 0.8426 1.2335 0.3339 0.0386 0.6498 0.9079 1.2062 0.9216 0.9124 0.7617 1.1491 1.0622 1.4757 1.1631 0.8890 1.1326 0.8392 0.3849 0.5744 0.0882 0.3055 0.2400 1.1023 0.9923 0.8638 0.8794 0.9710 1.0122 1.1459 1.1552 1.0991 2.1824 1.8714 1.6953 0.2617 0.5001 0.5493 0.0715 0.3598 0.0211
N-acetylmethionine sulfoxide 5.8755 1.4012 1.6543 3.1397 1.2579 1.3532 0.7346 0.6264 0.8266 1.1467 0.9997 0.8145 0.4654 0.7682 0.4990 0.6728 1.3224 1.0261 1.7470 1.2761 1.2077 1.7159 1.3806 1.1973 0.7321 1.0000 0.6431 0.8301 0.9415 0.5875 0.8791 0.3916 0.6886 1.1629 0.2958 1.5078 0.9698 1.2081 1.5111 0.8130 1.9518 0.7871 2.6258 2.1652 1.5639 0.9243 1.0963 0.5565 0.7411 0.7519 0.3111 0.7239 0.4163 0.8710 1.4217 0.8421 1.4553 2.4187 2.2675 2.2870 2.5550 2.0384 0.6514 1.1377 1.0776 1.3048 0.5602 0.4776 0.3771 1.3822 0.2138
N-acetylneuraminate 0.4871 2.4087 3.3793 2.0698 7.0595 2.4265 2.0172 3.9365 1.1392 3.2893 1.2140 1.1905 0.5699 0.4397 0.3561 1.0000 2.2166 1.4378 12.2048 7.3503 8.7683 6.4205 4.7074 4.7923 2.6992 0.4253 2.2030 2.1620 0.3250 3.2213 1.3460 0.2241 1.1631 3.2537 0.0479 3.2059 0.3939 0.3511 0.3782 0.9797 1.0474 0.5298 0.8494 0.4832 0.5459 0.8460 1.1257 0.2961 0.2498 0.4262 0.6070 1.0755 1.8096 0.2906 0.2799 0.4272 1.1615 1.3944 1.1955 0.4634 0.2138 0.1770 0.4399 0.6112 0.3149 0.3513 0.3800 0.2102 0.1829 1.0890 0.0666
N-acetylproline 0.9442 1.2135 5.7997 0.8294 3.2095 4.4801 1.1917 1.6359 1.8307 1.5546 0.7918 0.4125 0.4918 0.1060 0.1603 0.9899 0.9722 0.3189 7.6369 5.7758 5.2361 3.7000 4.1256 2.8790 2.1359 1.8965 0.9763 1.0662 1.2862 1.3316 1.1587 0.5905 0.6310 2.3112 1.0763 2.0798 0.0538 1.0000 0.3127 0.3223 0.0538 2.9580 1.6262 0.7777 1.4671 3.1522 0.6532 0.1171 1.9748 0.2225 2.5425 0.4022 0.3872 0.0538 0.0538 0.0538 0.6303 0.5132 0.2202 1.3432 0.4784 1.0289 0.3080 0.0538 2.1881 0.6611 0.0614 0.2271 0.7701 0.0842 0.0538
N-acetylputrescine 1.7878 0.4596 4.0577 1.6758 1.9958 2.7257 0.9846 1.1009 1.0075 1.2005 1.1270 0.5651 0.2575 0.2969 0.2960 0.8677 0.8170 0.6681 4.2596 2.9013 3.0603 2.3932 2.0902 1.9778 1.3716 0.9429 0.6993 0.7471 0.6209 1.2214 0.7201 0.1983 0.4758 1.2633 0.2662 1.4182 1.8259 1.3824 1.3981 2.9415 1.5107 1.8807 1.5197 0.9639 0.9946 1.3199 0.6881 0.2084 0.6860 0.3194 0.5145 0.3453 0.4613 1.1459 1.2509 1.0534 1.1813 1.6126 1.0000 1.5236 0.6189 1.3267 0.4135 0.5202 1.0757 0.3331 0.2041 0.1496 0.2694 0.4205 0.0526
N-acetylserine 0.2583 0.6202 0.5328 0.1939 0.8525 0.2601 0.9507 0.6299 0.3363 1.0651 1.2044 2.4838 3.1162 3.3576 2.7495 0.1248 0.3253 0.1724 2.2222 1.6800 1.1446 1.0000 1.0941 0.6859 0.5081 0.8489 1.1317 1.3129 2.0098 1.0695 2.0791 3.0308 2.2446 0.4276 0.1405 0.4540 0.4938 0.2767 0.4590 0.4210 0.4334 1.3273 1.6360 1.9429 1.4992 1.2350 1.9020 4.3773 1.5182 2.6513 0.1957 0.1807 0.1407 0.2924 0.3370 0.3435 0.2531 0.4473 0.3020 2.3016 3.2919 1.6213 3.2940 2.8961 1.8419 1.7408 3.4032 2.9141 0.1520 0.1420 0.1125
N-alpha-acetylornithine 1.1629 1.0539 18.8939 2.6173 4.0720 11.5467 0.7184 0.7423 0.3128 1.0076 0.5425 1.0455 1.3008 0.5465 1.3147 1.0000 1.4741 1.3248 5.8774 12.4831 7.4625 3.0576 8.2860 4.0800 0.4835 0.3120 0.4470 0.4103 0.3012 0.7752 0.7495 0.3044 1.1501 1.0466 0.0761 2.2970 2.1964 3.4094 2.6729 1.7341 1.7932 0.5299 0.6097 0.4672 1.0479 0.4780 0.6962 0.9451 0.6506 0.6119 0.3473 1.4636 0.5560 3.1084 2.1198 2.1020 1.5373 1.0351 1.5841 0.5985 0.3641 0.7239 0.5833 0.7773 0.6299 0.6393 0.8556 0.6944 0.3845 1.4747 0.1298
N-carbamoylputrescine 1.8439 0.0704 2.4900 0.4589 1.7921 2.3805 0.0704 0.0704 1.2042 0.8932 1.3978 0.1602 0.1535 0.0948 0.0704 1.4159 0.5364 0.0908 2.9571 2.4433 2.0298 1.8461 1.8219 1.1063 1.8177 0.9021 0.6269 1.5119 0.4098 0.6376 0.0704 0.1292 0.4104 1.1965 0.0704 1.0000 2.8905 2.2568 2.1980 1.0183 0.6894 2.3733 1.1435 0.7595 0.9231 1.2696 1.3939 0.0775 0.6440 0.0704 0.6725 0.1963 0.5523 2.1869 3.5116 3.3911 0.0704 0.4996 1.2139 0.0704 0.0704 0.7719 0.1294 0.1068 0.7289 0.0704 0.1438 0.0704 0.0704 0.0704 0.0704
nicotianamine 4.0436 2.0141 7.6317 4.1270 6.5274 6.1455 1.6197 1.2293 3.9986 2.6869 1.4504 0.7273 0.4188 0.3116 0.4488 0.5174 0.6209 1.0000 11.6663 10.6828 9.9984 5.3135 6.5229 6.4254 4.1757 3.9210 2.2485 1.9841 1.1956 3.4233 1.2648 0.3304 1.1602 2.4032 0.4308 1.6021 0.5215 0.6503 0.4971 0.3363 0.2675 4.1968 2.3163 0.7829 1.5130 3.3684 0.7505 0.0850 1.8682 0.1003 1.3200 0.1852 0.1231 0.3350 0.6356 0.3972 0.0920 0.3120 0.3751 1.0028 0.2851 0.8298 0.3371 0.2266 1.5600 0.2484 0.1065 0.1141 0.2479 0.2204 0.0331
nicotinamide 0.2313 0.0986 0.5328 0.3899 0.7254 0.5366 1.4639 1.5751 0.6391 1.7441 1.7116 4.3334 8.1362 6.6845 9.8071 1.2848 1.9264 1.1961 0.6476 0.6104 0.5269 0.4972 1.1093 0.7153 1.0385 1.2668 1.3750 2.4036 3.2167 1.2480 7.6398 9.7099 7.0235 0.3239 0.9615 0.4232 0.0843 0.0965 0.1031 0.0582 0.0573 0.0119 0.0119 0.0119 0.0119 1.7451 0.0215 9.0599 5.9519 6.0312 0.1538 1.1303 0.2614 0.2692 0.1167 0.0794 0.1507 0.0407 0.0505 0.0120 0.0119 0.0209 1.4625 0.0119 0.0971 4.1023 7.9680 9.6804 2.1191 1.1894 2.0591
nicotinamide adenine dinucleotide (NAD+) 0.5518 0.1384 0.1384 0.2427 0.1384 0.1384 0.1384 0.1384 0.1384 0.1384 0.1589 0.6374 2.0101 2.2408 3.2987 1.3534 1.9104 0.1384 0.1384 0.1384 0.1384 0.1384 0.1384 0.1384 0.1384 0.1384 0.1384 0.1384 0.5731 0.1384 1.2320 3.5567 1.7736 0.1384 1.2599 0.1384 1.0371 0.5665 1.0000 0.4971 0.9059 0.1384 0.1384 0.1700 0.2884 0.3853 0.2328 3.7005 1.3000 2.2579 3.4023 17.7717 10.8950 0.8045 0.6671 0.8192 0.3038 0.6299 0.3760 0.1493 0.2107 0.1384 1.2633 0.7740 0.4529 1.4914 2.9465 2.9804 16.4369 22.2982 17.1675
nicotinamide N-oxide 0.0436 0.4826 0.5361 0.0436 1.6298 0.2184 1.5736 4.7672 1.7985 5.9483 2.8236 3.3187 2.4953 2.9071 1.4547 0.4352 1.5199 0.5460 1.2593 0.9352 1.5041 0.9976 0.8386 1.1894 2.4910 2.4507 2.1710 5.0148 3.7172 4.8680 4.1934 1.5117 3.5658 0.3657 1.3129 1.6153 0.1792 0.0436 0.0436 0.0436 0.0436 0.0436 0.2637 0.0925 0.2450 0.8509 0.0436 1.0000 0.9780 0.4009 0.0436 0.2203 0.2699 0.0436 0.0436 0.0436 0.0436 0.0436 0.0436 0.3219 0.2686 0.0436 1.2208 0.5816 0.7132 2.7432 0.8404 0.8469 0.8458 0.0436 0.2151
nicotinamide ribonucleotide (NMN) 1.0791 0.2168 0.2168 0.2168 0.2168 0.2168 0.2168 0.2168 0.2168 0.2168 0.2168 0.2168 0.2168 0.2168 0.2168 0.6497 0.9209 3.7237 0.2168 0.2168 0.2168 0.2168 0.2168 0.2168 0.2168 0.2168 0.2168 0.2168 0.2168 0.2168 0.2168 0.2168 0.2168 0.2168 0.2168 0.3835 0.4742 0.2168 0.7791 0.2168 0.2168 0.2168 0.2168 0.2168 0.2168 0.2168 0.2168 0.4343 0.2168 0.2168 2.0848 7.2873 7.5833 2.0452 0.5831 0.2168 0.2168 0.2677 0.2168 0.2168 0.2168 0.2168 0.2168 0.2168 0.2168 0.2168 0.2168 0.2168 3.6288 20.7438 3.9150
nicotinamide riboside 3.5304 0.2231 1.0834 1.3384 0.6237 0.8054 0.9764 1.0994 0.9277 0.8519 1.1043 0.2031 0.4109 0.3037 0.5343 0.5841 0.4691 1.0574 1.6306 1.2622 1.1912 1.0897 1.0000 0.5877 1.2723 0.7448 1.1563 0.8231 0.4723 1.1042 0.5779 0.2494 0.2367 0.3019 0.2031 0.4807 3.7155 2.6392 3.5555 2.1452 1.8383 1.0842 1.2141 0.7942 1.3849 0.2031 0.8114 0.2799 0.3948 0.5561 0.2188 1.9887 1.1772 4.5619 3.0826 3.2909 1.9775 1.1878 1.6554 1.2496 1.4838 1.7024 0.4653 0.7435 0.5624 0.6264 0.7556 0.4099 1.0106 2.6582 0.9287
nicotinate 2.9962 0.1733 0.9911 1.2392 0.1189 0.6224 0.0065 0.0161 0.0173 0.0217 0.0081 0.0065 0.0189 0.0230 0.0133 0.6512 0.3210 0.4024 0.5872 1.1720 0.2672 0.3582 0.5564 0.1219 0.0480 0.0189 0.0146 0.0474 0.0269 0.0251 0.0225 0.0867 0.0374 1.4640 0.9396 0.2801 7.4551 5.6446 6.1179 2.4233 2.6050 1.2999 1.7921 2.2843 2.1565 1.2880 1.8538 1.5523 0.3193 1.9994 1.6974 1.6653 0.9878 6.6216 7.5376 8.8768 2.2373 1.9526 2.9682 2.4215 2.1107 1.7180 3.5906 3.5066 2.6607 1.7438 1.2292 0.1898 1.0089 2.1035 0.1668
nicotinate ribonucleoside 29.8075 0.2571 1.5866 4.7211 1.4257 1.6273 0.2815 0.2968 0.9237 0.5702 0.2067 0.0550 0.6979 0.2095 0.5748 0.2700 0.3234 0.2801 1.9288 2.0365 1.4852 1.6118 3.4627 1.5732 0.9808 0.9559 0.3639 0.4554 0.5282 0.4388 1.8639 6.8969 1.4845 0.5767 0.1164 0.4090 17.1770 8.4730 5.6909 4.0379 0.2569 1.5475 1.2503 1.4213 0.8584 1.0772 0.6444 2.1248 2.6174 1.5022 0.3276 0.2543 0.0550 16.4138 12.7570 2.3230 0.5195 0.3577 0.4209 2.3448 0.8607 1.1527 0.8093 1.1733 1.0000 2.3324 2.3049 1.5739 0.1738 0.2912 0.0550
nicotinic acid mononucleotide (NaMN) 28.5279 0.1392 0.1392 1.9845 0.1392 0.1392 0.1392 0.1392 0.1392 0.1392 0.1392 0.1392 0.1392 0.1392 0.1392 0.1392 0.1392 0.1392 0.1392 0.1392 0.1392 0.1392 0.6866 0.1392 0.1392 0.1392 0.1392 0.1392 0.1392 0.1392 0.1392 0.1392 0.1392 0.1392 0.1392 0.1392 4.9826 0.1392 1.7123 1.8872 0.1392 0.1392 0.1392 0.1392 0.1408 0.1392 0.1392 0.1392 0.1392 0.1392 0.1392 0.4209 0.1392 25.4027 0.9546 0.1392 0.1392 0.2990 0.1392 0.1392 0.1392 0.1392 0.1392 0.1392 0.1392 0.1392 0.1392 0.1392 0.3237 1.0454 0.1392
N-methylalanine 2.8504 0.1369 2.3267 1.1327 0.6583 1.4737 0.1369 0.1369 0.1369 0.1369 0.1369 0.1369 0.1369 0.3497 0.3660 0.1369 0.4303 0.4433 0.1369 2.1419 0.8647 0.6961 1.8394 0.5242 0.3461 0.2937 0.1369 0.1369 0.1369 0.2712 0.3151 0.1369 0.1369 0.4456 0.1369 0.1369 19.2743 11.1164 10.9508 5.7862 6.2424 0.1369 0.1369 0.1369 0.1369 0.1421 0.1369 0.3485 0.3363 0.7747 1.2028 4.6421 2.7650 21.4546 12.7068 20.6842 8.5745 3.6074 6.6046 0.2572 0.1369 0.1369 0.2910 0.1369 0.1725 0.3752 0.8684 0.1369 1.6170 8.4969 1.1316
N-methyl-GABA 1.1110 0.4379 1.1952 0.8514 1.1636 1.0000 0.3142 0.3326 0.2224 0.7339 0.1872 0.3991 1.2125 0.4321 0.8632 0.8311 0.6805 0.9955 1.5152 1.6500 1.4409 0.9923 1.0589 0.9613 0.1824 0.2155 0.1539 0.2115 0.5379 0.2455 0.6710 2.3862 0.6791 1.6913 1.2961 0.6135 4.7190 2.1795 2.3348 2.1568 1.9831 1.6035 0.5796 0.8194 0.8402 2.4633 1.0218 1.5684 3.5303 1.6296 3.9425 0.9541 1.4190 2.3367 1.5454 2.3515 1.7150 1.0970 1.6493 0.5539 0.2685 0.4985 0.4597 0.3757 0.9662 1.3020 1.0076 1.8068 1.0961 1.0075 0.3662
N-methylproline 2.5798 0.4521 3.6655 2.3698 1.6956 2.2794 0.0777 0.0777 0.0777 0.0777 0.0777 0.0777 0.4294 0.2769 0.3466 0.4394 0.7826 0.6037 0.9808 4.8896 1.6411 0.4907 3.4428 0.9840 0.0777 0.0777 0.0777 0.0777 0.0777 0.0777 0.2784 0.5156 0.2526 0.4209 0.2961 0.3131 11.5416 10.1324 10.8307 8.6896 10.5506 0.0777 0.0777 0.0777 0.0777 0.0777 0.0777 0.6293 0.7184 0.8142 1.1922 3.3023 3.3419 12.0740 9.8821 10.2979 8.8439 8.0891 10.5889 0.0777 0.0777 0.1351 0.0777 0.0777 0.0777 0.2328 1.0000 0.5329 1.2802 4.3455 0.3577
N-monomethylarginine 0.1570 0.1332 0.5452 0.2565 0.2412 0.3677 1.3886 1.0060 0.2706 1.6263 1.5522 2.1869 3.0105 2.4336 2.3617 0.7888 0.4684 0.1725 0.5593 0.4352 0.3971 0.3646 0.4364 0.2723 0.5655 1.1796 1.5213 1.7282 1.8319 0.8987 1.4094 3.3198 1.7992 1.1637 0.8264 0.6018 0.1206 0.0862 0.0862 0.0987 0.1322 1.4048 1.0742 2.2983 1.1025 1.2902 1.9116 3.9507 1.4013 2.4645 2.0633 0.4160 0.4563 0.2250 0.2467 0.2318 0.2514 0.3663 0.1740 2.2033 3.0407 1.6902 4.3352 2.5492 1.5362 1.0000 2.8560 1.9533 0.5547 0.3221 0.0862
N_N-dimethyl-5-aminovalerate 15.6908 0.3553 1.6784 1.1794 0.9985 11.9158 1.3779 2.3880 0.8275 0.5052 0.2106 1.6840 0.1621 0.1086 1.1509 0.2111 0.2168 0.4013 1.3204 0.0616 1.8618 4.3624 0.0616 6.0185 0.6618 0.7367 0.3557 0.1496 0.1744 1.5557 0.4954 0.1401 0.2199 1.9808 0.0616 3.5716 35.1973 0.0616 1.0240 1.0000 36.1444 3.7189 0.0616 0.0616 0.3742 0.4649 5.4754 0.1668 0.3011 2.5960 0.3534 0.4582 0.0616 39.0940 0.0616 34.0901 29.5409 0.0616 0.0616 3.3268 0.0616 5.3481 0.7298 0.0616 2.8353 1.1637 0.0616 0.1326 0.0694 0.0616 0.0616
N_N-dimethylalanine 0.9221 0.8159 4.1467 0.6520 2.1459 2.4343 0.2061 0.2061 0.2061 0.2061 0.2061 0.2061 0.4604 0.2061 0.2061 0.2061 0.7855 0.2061 2.4631 8.4866 2.1390 1.2420 5.9653 0.9626 0.2061 0.2061 0.2061 0.2061 0.2061 0.2061 0.2061 0.9049 0.2061 0.4480 0.2061 0.2061 0.4855 2.8397 1.9639 1.0997 0.8550 0.2061 0.2061 0.2061 0.2061 0.2061 0.2061 0.2061 0.7488 1.6623 1.0374 0.2061 0.3072 6.2506 1.2696 0.5658 6.1894 7.2312 0.6690 0.2061 0.2061 0.2061 0.2061 0.2061 0.2061 0.2061 0.4197 0.5281 1.2658 0.5340 0.2061
N_N-dimethyl-pro-pro 0.7320 1.4252 9.1086 0.7050 5.1158 7.7004 1.9760 2.8562 5.4566 2.4460 1.7783 0.4904 0.4919 0.5681 0.0893 1.2184 0.9134 0.2939 13.1754 12.0088 10.0877 8.0920 8.1218 6.3464 6.2040 5.4526 2.7817 2.5334 1.6286 3.2913 1.4099 0.7345 0.9921 3.1528 0.6765 2.7407 0.2536 0.1362 0.1122 0.2663 0.2592 4.3614 2.1287 0.9507 1.3970 4.0855 0.8043 0.2969 1.8799 0.0321 1.8812 0.1694 0.2727 0.1440 0.0321 0.1231 0.1680 0.1797 0.2313 1.4481 0.6380 1.0079 0.7075 0.3355 2.2427 0.1845 0.0321 0.2459 0.2639 0.0321 0.0780
N_N_N-trimethyl-alanylproline betaine (TMAP) 0.6876 1.3591 17.3895 0.4909 5.4399 12.6128 1.5539 3.2433 4.8800 2.7473 3.1387 0.3987 0.5292 0.6021 0.1269 1.8730 1.2190 0.1792 18.3213 17.1152 13.9144 9.7965 11.3067 8.8936 7.1522 4.8393 3.0065 3.1503 1.6650 4.8513 2.2169 0.4584 1.5002 3.9940 0.4831 4.2019 0.1302 0.1701 0.0290 0.1043 0.0785 3.7983 1.8668 0.7810 1.3076 3.4056 0.6681 0.0846 1.7363 0.1293 1.2422 0.1824 0.1121 0.1661 0.1175 0.1260 0.1681 0.0717 0.0709 1.2337 0.4491 0.7765 0.5451 0.1929 2.0882 0.3248 0.0566 0.1477 0.2324 0.0435 0.0290
ornithine 0.0944 0.1092 0.6908 0.0641 0.1723 0.4477 1.0000 0.8488 0.0798 1.9718 1.2486 3.3218 6.4363 5.0566 6.5965 0.6712 0.4942 0.2566 1.1933 0.7708 0.4273 0.6314 0.4382 0.1992 0.3955 0.9330 1.6742 2.4468 2.7081 0.9978 4.4849 7.0114 5.0714 0.8142 0.2580 2.1971 0.3667 0.4681 0.4319 0.1714 0.1918 1.0967 1.0098 2.0975 2.1549 2.2544 2.6414 8.3963 4.7516 6.8850 0.2907 1.5095 1.4185 0.6172 0.4647 0.4670 0.5734 0.7891 0.2216 1.7833 1.9682 1.5209 6.3341 3.8995 3.0333 3.7082 7.2698 7.5020 0.5986 2.1083 0.1759
o-tyrosine 0.7397 0.1438 1.8133 0.4863 0.3788 1.0804 0.8032 0.7198 0.1460 1.0089 1.5985 1.6474 4.4612 3.9972 4.3978 0.7420 0.4221 0.4592 0.8028 1.0352 0.3160 0.8853 0.7874 0.4251 0.2800 0.5459 0.1438 1.0443 3.6164 1.1521 3.3887 3.3501 3.1642 0.6580 0.2039 0.3824 0.8357 0.8935 0.7294 0.2920 0.6082 1.0521 1.0245 2.2198 2.7251 0.8087 2.8605 2.1666 3.4544 4.2887 0.3504 1.3287 0.3464 0.7444 0.9911 2.2979 0.3337 0.6355 0.5988 2.0900 1.7550 1.1541 4.5466 3.0849 2.7505 2.1607 4.7481 2.1592 0.6797 0.8758 1.4339
oxindolylalanine 0.0433 0.0433 0.3272 0.3444 0.1419 0.3475 0.8449 0.3400 0.1959 1.2416 1.3705 1.7342 1.5531 2.6936 1.4198 0.1083 0.1559 0.0433 0.3699 0.3034 0.1736 0.3291 0.3387 0.1758 0.3043 0.4229 0.4747 1.2342 1.7491 0.8610 1.7990 1.2973 1.5893 0.0433 0.1887 0.0433 0.0433 0.0433 0.0433 0.1509 0.0433 1.0812 0.8173 1.3364 1.2671 0.9188 1.7357 1.6329 1.0981 1.5559 0.1077 0.1055 0.0433 0.0433 0.0433 0.0433 0.1452 0.0433 0.0433 1.2083 1.3069 1.2559 2.0536 1.7511 1.9102 1.4545 1.7960 1.7393 0.0433 0.0433 0.0433
pantetheine 1.3214 0.0868 0.0868 0.6137 0.0868 0.0868 0.1314 0.0868 0.0868 0.2259 0.4615 1.2862 0.9468 1.1852 1.5732 0.0868 0.0868 0.3672 0.0868 0.0868 0.0868 0.0868 0.0868 0.0868 0.0868 0.0868 0.0868 0.1949 1.3413 0.2740 2.6513 0.9011 2.7057 0.0868 0.0868 0.0868 2.8266 2.1818 2.0192 0.9931 1.0069 0.0868 0.3374 0.3585 1.2224 1.0560 0.5804 0.0868 4.0023 1.0860 0.0868 0.1121 0.1049 1.2669 1.8658 3.8916 0.6336 0.5099 1.3990 0.0868 0.2903 0.2134 0.4393 2.0776 3.0534 4.9591 0.6738 2.8775 0.0868 0.1224 0.0868
pantothenate 2.6267 0.0898 0.8738 0.6939 0.1407 0.8413 0.6290 0.2339 0.0640 1.0163 0.9301 2.9363 4.5240 5.1733 5.8384 0.4579 0.2311 0.4885 0.2342 0.3698 0.1656 0.1804 0.3257 0.1571 0.1047 0.2932 0.3068 1.3875 1.7344 0.6396 3.6383 6.2328 4.2476 0.3982 0.5107 0.2433 2.5671 2.2648 2.5308 0.8876 1.4071 1.0995 1.0000 2.1196 1.6888 1.3677 1.4275 7.1657 3.3333 4.8861 0.7209 0.6412 0.5881 1.3559 2.4442 3.4103 0.4043 0.7041 0.9413 1.6749 1.6065 1.3421 4.0590 3.8562 2.8611 3.8653 6.3660 6.4870 0.3082 0.4234 0.1525
phenethylamine 0.8643 0.3232 1.1845 0.9201 1.5729 1.0821 1.0570 0.7868 0.6863 1.4148 0.7712 1.1951 0.6842 0.6929 0.8890 4.7728 2.0600 1.8847 0.9292 0.7176 0.8256 0.9234 0.8122 1.0319 0.6114 0.9441 1.1306 0.6714 0.7950 0.5896 0.9046 1.2019 0.8823 5.3905 5.1006 2.9745 0.8812 1.0082 1.0359 1.2306 1.6162 0.9506 0.5155 1.2731 1.0140 1.0723 0.6057 1.0808 1.1080 1.1817 7.4943 3.4474 5.1698 0.8330 0.9403 0.8901 0.8725 1.2272 1.0375 0.9918 0.5194 1.0222 0.3232 0.6253 1.2262 0.4578 0.8076 0.6660 4.3736 4.2442 1.6707
phenylalanine 0.8826 0.1640 0.7642 0.6599 0.2714 0.5765 1.3889 0.9201 0.4761 1.6718 1.6548 2.6184 2.5724 2.9144 2.5663 0.6804 0.5200 0.5861 0.6056 0.5885 0.2996 0.4828 0.5170 0.3799 0.7779 1.0255 1.0963 1.8398 2.3401 1.3021 2.4057 2.3553 2.5542 0.8073 0.1231 0.6575 1.0000 0.9015 0.9693 0.6055 0.7486 1.6511 1.6701 2.2509 1.9402 2.1707 2.3207 2.6364 2.3396 2.6549 0.2727 0.4806 0.4729 0.8761 1.0682 1.1046 0.6673 0.8316 0.7765 1.9310 1.9079 1.5344 2.5589 2.5397 2.4144 2.3966 2.5323 2.7050 0.2940 0.4569 0.1944
phenylalanylalanine 1.9625 0.0512 0.6666 1.2891 0.7874 1.3752 0.1846 0.1294 0.3970 0.2317 0.4872 1.4551 1.4743 1.7069 2.9171 1.7285 0.9889 2.8904 0.3830 0.4984 0.3822 1.0000 2.1722 3.2928 0.2120 0.1973 0.2191 0.4440 1.2717 0.2504 2.7582 1.5517 2.0852 2.4817 0.2937 2.5800 1.6011 2.6087 3.4735 0.6080 0.9764 0.3982 0.9234 0.5865 2.4188 1.9123 0.4924 0.6906 3.3147 1.7544 0.1093 0.3413 0.2545 6.4223 5.1083 2.6233 3.2424 2.4316 1.4503 0.3985 0.3483 0.3313 0.5301 0.9524 1.7471 7.6412 1.5295 2.8423 1.2866 0.4867 0.9931
phenylalanylglycine 1.4207 0.0199 0.5293 1.1624 0.3913 0.7838 0.3473 0.1176 0.3197 0.4521 1.3141 2.1930 3.4081 3.2190 6.1775 1.2531 0.8516 1.0000 0.3597 0.3477 0.3073 0.7203 0.9469 1.1606 0.1611 0.1767 0.1589 0.4899 3.1409 0.5866 3.9267 3.5029 3.2616 1.3592 0.0856 1.6207 1.2368 1.7141 2.2385 0.5508 0.8933 0.6456 1.0588 0.8875 3.1767 2.4388 0.8561 1.8946 4.4672 3.3110 0.0929 0.1264 0.1688 2.6586 2.5249 2.2444 1.4087 1.1487 1.1291 0.4437 0.5055 0.3198 0.9592 1.5567 2.2446 4.6177 3.8212 4.4296 0.6847 0.2218 0.4160
phosphate 1.8907 0.4697 1.6528 1.5303 1.0000 1.2547 0.0138 0.0051 0.0056 0.0247 0.2131 1.2804 2.4527 2.6561 2.4457 2.3457 1.9959 0.8571 0.6385 1.9294 0.4257 0.3800 1.5577 0.3708 0.0028 0.0156 0.0093 0.0298 1.5876 0.0067 1.5319 2.8178 1.6833 0.8574 1.6482 0.6162 1.8141 1.6414 1.1925 0.1990 0.8389 0.0456 0.1097 0.1772 0.7310 1.2737 0.3190 2.8984 2.3579 1.8569 1.0843 2.2000 1.5095 0.9624 0.9278 2.0546 0.4605 0.3644 0.8408 0.0545 0.1801 0.0195 1.2340 1.4089 0.7871 1.7021 2.4791 2.7686 1.8932 1.6479 0.6648
phosphoethanolamine 0.0815 0.0815 0.0815 0.0815 0.0815 0.0815 0.3485 0.0815 0.0815 0.3866 1.2795 7.6915 0.3176 1.9839 0.0815 2.0258 5.2425 1.7226 0.0815 0.0815 0.0815 0.0815 0.0815 0.0815 0.0815 0.0815 0.0815 0.3936 3.7497 0.0940 0.5983 0.1566 0.1295 0.0815 1.7952 0.4159 0.0815 0.0815 0.0815 0.0815 0.0815 0.9598 0.8663 1.7480 2.2241 5.0974 2.9535 0.7938 0.5645 0.2712 0.1268 6.8838 2.3735 0.0815 0.0815 0.0815 0.0815 0.0815 0.0815 0.4637 1.0402 0.1157 4.5222 4.7066 2.6295 0.9382 0.3833 0.4819 12.7631 2.6546 20.1952
picolinate 3.2343 0.5741 1.7734 2.0491 1.0868 1.4524 0.8544 1.1892 1.0000 0.5580 0.5094 0.3083 0.3083 0.3083 0.3083 0.7034 0.5345 0.7546 1.8208 1.5906 1.1211 0.9464 1.1213 0.6338 1.7312 0.8979 1.0239 3.0332 0.7558 0.6420 0.5409 0.3083 0.5512 1.6613 0.8905 0.6446 5.7015 2.8468 3.8625 4.0950 3.9785 0.8919 0.7138 0.7693 0.4976 0.3890 0.4160 0.3083 0.3083 0.3083 1.7820 0.9633 1.8231 4.4852 4.5540 4.6400 3.9987 4.0825 3.7898 1.1597 0.8720 1.1878 0.5731 0.6303 0.4928 0.3083 0.5283 0.3083 0.9954 1.7286 0.3083
pipecolate 27.8956 0.1849 1.2354 1.0951 2.7843 14.3481 0.5750 0.5171 0.1524 0.1492 0.0369 0.9308 0.0930 1.0000 1.7305 0.5196 0.3346 0.2774 0.7658 15.5421 0.6749 2.7402 11.2763 2.6573 0.4843 0.1682 0.0887 0.0369 0.0369 0.2244 0.8712 2.4533 0.0960 8.1368 0.9764 3.2474 39.3869 29.8175 0.7102 1.0427 21.0725 0.5900 0.5787 1.2088 0.0369 1.0308 0.6403 1.7148 0.5617 1.3922 2.7827 0.5453 0.0369 26.5361 25.4518 26.7594 17.3177 14.4607 1.0925 0.8054 0.0774 0.8302 1.1796 1.2957 1.1250 1.5060 0.2057 0.1047 0.7153 9.3560 0.0986
piperidine 1.3905 0.4377 0.7446 2.0444 1.0668 1.3026 0.1968 0.1968 0.1968 0.1968 0.1968 1.1114 0.1968 0.1968 0.5075 4.0665 2.0639 2.1737 2.4823 1.6447 0.6665 1.1812 2.2817 0.7323 0.1968 0.1968 0.1968 0.6669 0.1968 0.1968 0.1968 0.4698 0.7996 0.9214 3.8651 1.6803 0.8623 1.1674 1.5050 0.9943 1.1264 1.4556 0.7369 1.2229 0.4562 0.6309 0.5741 0.1968 0.9836 0.8288 1.1443 3.3741 3.5298 1.7489 1.1165 0.9261 1.0057 0.6182 0.6367 0.5018 0.5636 0.1968 0.8852 0.8838 0.4747 0.2897 0.3116 0.1968 2.6186 4.9405 1.9898
pro-hydroxy-pro 0.0947 3.9339 8.2775 0.1427 7.4815 5.7393 2.4324 1.7017 2.2949 2.0868 1.9411 0.6159 0.3515 0.2117 0.1280 0.2963 1.0000 0.0578 15.6692 10.4936 8.4595 8.9369 6.5385 5.2673 3.1633 2.6620 0.9445 1.5906 1.7247 1.2145 0.8285 0.2197 0.4315 1.7150 0.0270 1.8315 0.0157 0.0293 0.0157 0.0282 0.0409 4.0244 2.9462 1.5251 1.4341 1.9468 1.6386 0.0969 0.6329 0.1874 0.0157 0.0960 0.1251 0.0157 0.0169 0.0256 0.0157 0.1074 0.0289 2.9469 1.5152 2.5000 0.7324 0.5751 1.5862 0.2085 0.0337 0.0926 0.0157 0.1450 0.0157
proline 0.4978 0.3226 1.4424 0.2699 0.5754 0.9628 1.0270 0.5262 0.1883 1.4303 1.1850 2.4923 2.2995 2.5362 2.3661 0.1150 0.1915 0.0801 1.8498 1.4300 1.0744 1.0586 1.0000 0.6065 0.4105 0.6370 0.5922 1.3288 2.0731 0.8668 2.0134 1.8945 1.8197 0.2640 0.0761 0.2757 0.4139 0.3720 0.4294 0.1944 0.3137 1.2270 1.0829 1.7587 1.4609 1.6198 2.1135 2.2815 1.7058 2.4158 0.1161 0.0371 0.0416 0.3305 0.4372 0.4798 0.2308 0.3080 0.2485 1.5911 1.6540 1.1334 2.6667 2.3045 1.9346 1.4760 2.3716 1.8561 0.0563 0.0338 0.0228
prolylalanine 0.7011 0.0506 1.1420 0.5391 0.6037 1.0000 1.2388 0.3669 1.0175 1.9335 2.3636 6.5797 6.5856 7.1721 7.0564 0.5659 0.6199 0.3463 0.9734 0.7885 0.6560 0.8264 0.8388 0.9410 0.5945 0.4844 0.7218 2.0744 6.1006 1.4802 6.9609 2.7854 7.5949 1.1318 0.0854 1.2540 0.1509 0.1577 0.1891 0.1350 0.1797 3.3548 4.1584 5.2834 5.3416 5.8694 6.9276 3.2282 7.5485 7.7966 0.1188 0.3991 0.5243 0.2431 0.1962 0.1560 0.3007 0.4351 0.1681 3.4578 2.4039 2.6358 2.9685 5.2207 5.9183 8.0580 4.7097 5.9768 0.3918 0.2823 0.1584
prolylglycine 0.2625 0.1065 1.1762 0.1933 0.5739 0.8787 1.2681 0.5820 0.4153 2.7400 1.9985 5.2356 6.5712 7.2609 5.8024 0.1985 0.2344 0.1112 1.6453 1.0216 1.0406 1.0000 0.7865 0.6754 0.4621 0.7301 0.7171 1.9238 5.2142 1.3795 4.6196 4.2777 5.9276 0.3837 0.0258 0.5072 0.0705 0.0700 0.0869 0.0538 0.0778 1.7230 2.0429 3.6053 3.3080 3.4429 4.4003 6.2433 4.3869 6.6325 0.0471 0.1238 0.0794 0.0915 0.0893 0.0724 0.1108 0.1641 0.0689 2.4415 2.4660 1.8565 4.7440 5.9100 3.7514 3.9378 5.9788 5.1100 0.0704 0.1021 0.0280
prolylproline 0.5225 0.0565 0.8889 0.6771 0.6739 0.9097 1.1473 0.5116 0.2754 1.4977 1.0975 1.7229 1.8755 1.7908 1.6909 1.0481 1.1900 0.4678 1.1066 0.9630 0.7135 0.9625 1.1048 0.7909 0.3596 0.4794 0.4542 0.9342 1.7548 1.0000 1.6576 1.0236 1.3126 1.5378 0.0279 1.6589 0.0736 0.0938 0.1138 0.1158 0.1906 1.4736 1.0664 1.4659 1.4420 1.5536 2.0811 1.1959 1.7244 1.9611 0.0845 0.1542 0.2270 0.1347 0.0970 0.0794 0.3905 0.5413 0.1267 1.3072 1.2325 1.2243 1.7153 1.3711 1.7820 1.7151 1.5698 1.1851 0.1737 0.1098 0.0268
propionylcarnitine (C3) 0.8690 0.0867 0.5093 1.7114 0.5950 0.3287 0.7585 0.5789 0.1854 0.7232 0.4832 1.4665 3.5641 1.7288 3.0977 0.4607 1.0784 1.1101 0.2943 0.5510 0.2812 0.2875 0.7406 0.5803 0.2203 0.5253 0.5120 0.4125 0.9695 0.4175 2.2387 5.1486 2.5402 0.2610 0.3695 0.4842 0.2764 0.3071 0.1850 0.6343 0.8786 1.6484 3.4342 6.8791 2.7210 3.6059 3.2068 3.3132 5.4217 6.2687 0.2236 1.2040 0.5161 1.0000 1.6963 0.6916 1.5339 3.7988 1.8913 2.1693 2.5410 2.5486 1.2008 2.4004 2.8014 2.9227 3.6407 4.7951 1.8775 0.6992 3.9458
putrescine 0.2011 0.1492 2.8013 0.3928 0.1492 1.5495 0.1492 0.1492 0.1492 0.1492 0.1492 0.1492 2.1180 0.1492 1.7051 0.1492 0.1492 0.8714 2.8280 2.0911 0.1492 0.4366 1.4927 0.3145 0.1492 0.1492 0.1492 0.1492 0.1492 0.1492 0.3563 2.1324 0.6959 3.3886 1.6692 1.0977 0.6063 0.4123 0.4237 1.0000 0.3751 2.4430 0.1492 0.1492 0.1492 1.5428 0.1492 0.1492 4.6179 1.8232 1.7304 0.1492 0.2035 0.4910 0.1492 0.1492 0.3224 0.1492 0.3215 0.1492 0.1492 0.1492 0.1492 0.1492 0.1492 3.4888 0.7639 2.3477 0.8701 0.1492 0.1492
pyridoxal 4.6884 0.0115 0.8031 1.2832 0.1092 0.4737 0.4513 0.3448 0.0115 0.5230 0.4750 1.2168 1.5500 1.6040 1.4634 0.2108 0.1321 0.3917 0.1711 0.2416 0.1624 0.1851 0.1801 0.1636 0.2502 0.2724 0.2583 0.5544 1.3677 0.3534 1.0000 1.9414 0.7974 0.1842 0.0749 0.2255 3.9835 3.0222 3.0421 1.6006 1.7360 0.9532 0.6631 1.6072 1.1672 0.8311 1.2516 1.8846 1.6468 1.5316 0.0115 0.1807 0.2477 3.0223 2.8062 3.9800 1.2717 1.1526 1.6660 1.1111 1.3416 0.9644 1.3464 1.9078 1.5946 1.0288 1.8387 2.3931 0.0115 0.2904 0.0115
pyridoxamine 1.5023 0.1178 0.5402 0.5911 0.3313 0.4727 0.6759 0.4996 0.3909 0.7920 1.0301 1.1720 1.4494 1.1267 1.8334 0.5464 0.3586 0.3890 0.6120 0.7460 0.4577 0.5182 0.6242 0.4045 0.4830 0.7024 0.5168 1.0615 0.9318 0.5722 0.9822 1.5333 1.0000 0.5245 0.1268 0.3730 5.1217 3.0359 3.4720 1.0284 1.3818 1.1310 1.6567 2.0678 2.4426 1.3011 1.3974 2.6426 1.0223 1.1213 0.2403 0.7851 0.6783 1.9547 3.5314 5.1831 0.7701 0.8452 1.2213 1.7913 1.6000 2.7565 1.9493 3.2613 2.9817 1.0103 2.6400 1.6749 0.2511 0.7959 0.0880
pyridoxine (vitamin B6) 0.5725 0.1262 0.3962 0.1262 0.1262 0.7317 0.1262 0.1262 0.1262 0.1262 0.1262 0.1262 0.1262 0.1262 0.1262 4.6326 1.7955 0.6926 0.9695 0.7749 0.1262 0.1262 0.8251 0.1262 0.3087 0.1262 0.1262 0.1262 0.1262 0.1262 0.1262 1.2382 0.1262 5.3412 7.5977 1.6481 0.1262 1.8152 0.1262 0.1262 0.1262 0.1262 0.1262 0.1262 0.5763 1.1118 0.1262 0.1262 0.6448 0.1262 10.0662 2.8908 2.9526 0.7597 0.1262 0.6068 1.0056 1.0000 0.7082 0.1262 0.1262 0.1262 0.1262 0.1262 1.6182 0.1262 0.1262 0.1262 3.6823 3.2465 0.5772
pyrraline 1.0399 0.4366 3.6820 0.5654 0.7407 2.4966 1.7376 0.5380 0.8710 1.5128 1.6611 0.9137 0.4568 0.8048 0.3242 0.7125 0.7255 0.4634 2.5744 2.1718 1.0288 1.5636 1.3873 0.5703 1.1961 0.8254 0.4793 1.0250 2.0898 0.9620 1.0521 0.5463 0.5573 1.1180 0.0663 0.7627 0.9704 1.2267 1.3559 0.7672 0.9960 2.1809 1.9351 1.0252 2.1294 2.0872 2.2137 0.3073 1.7566 1.0000 0.2091 0.2596 0.4445 1.2165 1.2419 0.8840 1.0160 1.5035 0.8701 2.1366 1.7575 2.2953 0.3034 1.0324 1.6016 1.8120 0.1983 0.5337 0.2164 0.3141 0.0396
quinolinate 2.0185 0.5068 2.5941 1.8562 1.3871 1.5390 0.8398 1.2539 0.8280 1.2033 0.5069 0.7182 0.1208 0.2211 0.1572 0.1208 0.3865 0.4720 2.6635 3.3646 3.0603 1.2770 2.0383 1.5484 1.3630 1.4383 1.3572 0.8527 0.6525 1.3175 0.4846 0.1208 0.6626 0.3827 0.1208 0.7443 1.6451 1.5539 1.4849 1.1731 1.2533 0.9553 0.8627 0.9845 0.5650 0.7090 1.0172 0.3522 0.2044 0.2947 0.1754 0.3961 0.5123 2.4996 1.4440 1.8215 2.1446 1.3604 1.5462 1.7819 0.6630 1.2256 0.4013 1.0155 0.9178 0.7147 0.1208 0.1208 0.1208 0.4453 0.1208
(R)-3-hydroxybutyrylcarnitine 1.2091 0.1897 0.1897 2.0664 0.1897 0.6716 0.7278 0.5777 0.1897 0.6607 0.5797 1.8768 6.4294 3.4896 4.9560 0.2664 0.6785 1.5257 0.1897 0.1897 0.1897 0.3700 0.4095 1.1282 0.1897 0.2503 0.6717 0.1897 1.0747 0.7036 2.0314 3.9775 4.0710 0.1897 0.2226 0.4800 0.1897 0.1897 0.1897 0.4262 0.8322 0.5873 0.7262 0.1897 0.6098 0.4483 0.7716 5.0317 3.6078 3.0077 0.1897 0.9662 0.3148 0.8908 0.1897 0.6002 1.3718 2.6410 1.4877 1.1428 1.1481 1.0000 2.9205 0.1897 1.8499 4.1823 5.0931 5.9493 1.1661 0.6769 1.8643
riboflavin (vitamin B2) 3.6633 0.1066 0.1066 1.1937 0.1066 0.2752 0.4093 0.2418 0.1066 0.5759 1.0996 1.6344 2.1809 3.2880 3.2672 0.4835 0.2406 0.5124 0.1066 0.1066 0.1066 0.1315 0.1066 0.1284 0.1549 0.2609 0.2469 0.7559 1.3762 0.4199 2.0972 2.5532 1.9994 0.2919 0.5667 0.4784 3.4129 2.0426 2.8502 1.2629 1.5357 0.3924 0.9061 0.8789 1.7733 0.5497 1.1076 3.0006 2.2755 2.8996 0.5447 0.6571 0.3820 1.6863 2.3348 3.6842 1.0110 0.8665 1.3137 0.9046 0.8852 0.9890 1.5878 3.6586 3.4460 2.8164 3.3275 2.3975 0.4152 0.6293 0.1930
S-1-pyrroline-5-carboxylate 0.6034 0.0895 0.8906 0.4107 0.4885 0.7219 0.8872 0.0895 0.2750 1.0287 0.6447 3.1443 11.9945 5.4516 7.0582 0.4602 0.2902 0.0895 1.2125 0.8443 0.6137 0.7488 0.8840 0.4531 0.2432 1.3779 0.2260 1.0247 3.0243 0.4432 2.8773 7.5441 4.3449 0.2208 0.0895 0.2258 0.9387 0.9322 1.0882 0.4723 0.6524 1.3435 1.0097 2.7005 2.1276 4.3387 2.5023 24.1992 4.9542 16.3130 0.1381 0.4075 0.2038 1.0000 1.6381 1.7718 0.4164 0.4654 0.7046 1.9559 3.1919 1.5991 7.6168 5.0494 2.3692 2.3775 20.8116 11.6360 0.0895 0.3986 0.2663
(S)-3-hydroxybutyrylcarnitine 0.5310 0.1329 0.4062 1.7421 0.1329 0.2887 0.7075 0.4162 0.2124 0.5434 0.7339 1.8848 2.0879 2.9450 2.1899 0.3472 0.7017 2.1135 0.1329 0.1329 0.1329 0.1329 0.5647 0.1329 0.1329 0.4101 0.5951 0.3436 1.0310 0.1899 1.0575 3.1356 1.8180 0.1329 0.2494 0.1511 0.1329 0.2860 0.2209 0.5173 0.5239 1.2060 1.3569 2.7060 0.7843 0.9700 0.9595 2.6349 2.2306 1.7714 0.1962 1.1230 0.4755 0.7849 0.4531 0.2235 1.2155 1.8822 1.3476 2.2580 1.2788 0.9875 2.6963 1.7308 1.5460 1.4901 2.1589 3.4566 1.4414 1.0125 1.2159
sarcosine 0.1197 0.5133 0.1197 0.1197 1.1656 0.1197 1.0197 0.3290 0.1197 0.1197 0.1197 0.1197 0.1197 0.1197 0.1197 0.1197 0.1197 0.1197 7.7446 0.7157 1.0000 3.8742 0.4900 0.3472 0.1197 0.1197 0.1197 0.1197 0.1197 0.1197 0.1197 0.3066 0.1197 0.1197 0.1197 0.1197 0.3326 1.0751 0.1197 1.5460 1.0532 3.9933 3.5836 4.2409 1.8844 1.2136 2.2362 0.1197 0.5526 0.3296 0.6592 0.2409 0.6776 1.0227 0.2381 0.1197 1.8176 0.7159 1.0891 4.0276 2.3187 4.0830 0.1197 1.9672 0.9659 0.2201 0.1197 0.2660 0.2174 0.3102 0.1197
serine 0.8361 0.2922 0.9895 0.4916 0.3861 0.5860 1.8665 1.0000 0.3278 2.7989 2.5088 5.1800 5.4826 5.7202 5.1526 0.2121 0.3143 0.2036 1.8325 1.3663 0.7819 0.8631 0.8826 0.4123 0.6714 1.2782 1.2970 2.5879 4.1471 1.6257 3.9180 4.1697 4.1382 0.4806 0.0858 0.4741 0.7273 0.5863 0.7423 0.3345 0.4792 2.2626 2.0626 3.6248 2.6858 3.1685 4.0283 5.2957 3.7696 5.1025 0.0773 0.1928 0.1790 0.5661 0.7210 0.8040 0.3864 0.5299 0.4173 3.0332 3.2062 2.0013 5.5397 4.9833 3.7692 2.7191 5.2935 4.3410 0.1175 0.1210 0.0618
serotonin 2.0075 0.1473 0.4858 3.1782 0.7047 0.8315 1.6217 0.2160 0.9931 0.5423 0.2926 0.1473 0.1473 0.1473 0.1473 0.5721 0.6684 2.2117 0.5203 0.5072 0.6968 0.5273 2.0533 1.2511 0.5737 0.1473 0.1473 0.1473 0.1473 1.0756 0.1473 0.1542 0.1473 0.4426 0.1473 0.4935 2.0389 2.0332 2.8496 2.5594 4.3221 2.7080 2.1188 3.9749 0.9491 0.8150 0.9854 0.1473 1.6758 0.1473 0.4348 1.0937 1.4299 1.9838 1.0000 1.2445 4.2316 5.4469 3.4553 0.5372 0.1920 0.9710 0.1473 0.1473 0.1473 4.3551 0.1473 0.1473 1.2199 0.8833 1.7356
S-methylcysteine 0.5155 0.2356 0.7663 0.6670 0.3899 0.4782 1.9015 0.9819 0.4892 2.0591 2.0345 4.3814 8.0862 7.2936 8.7983 0.3827 0.3487 0.3267 0.6736 0.4318 0.3126 0.5332 0.7927 0.5043 1.0000 1.4494 1.3180 2.8029 3.9137 1.3663 8.5792 6.2307 8.4576 0.5982 0.3998 0.1287 0.7223 0.4096 0.5688 0.5175 0.5340 1.9614 1.8518 3.2326 2.7889 3.1183 3.3262 5.9936 5.7001 7.6143 1.2101 0.4589 0.3462 0.7038 0.7603 0.8451 0.4886 1.1533 0.5332 3.0345 3.2213 2.3511 3.6083 4.6563 4.1606 6.2680 8.6995 7.5597 0.4404 0.4245 0.3860
spermidine 9.9209 0.4007 3.1031 1.9604 2.0146 2.0561 0.5145 0.5353 0.4379 0.4029 0.2572 0.6915 1.3839 0.9122 1.5020 0.4705 0.5949 0.2443 6.1464 2.8168 3.9318 1.5013 1.8086 1.4296 0.7796 0.1254 0.2962 0.4774 0.2687 0.6013 1.0653 2.6575 1.1416 0.3447 0.4422 0.2026 7.7664 4.8494 2.6839 0.5063 0.4121 0.6662 0.9788 0.6982 0.9278 0.6925 0.4698 2.0286 1.0536 1.2418 0.2235 2.6999 1.0000 1.9095 1.6439 12.0929 0.4097 0.4480 0.4800 1.0202 0.3829 1.5385 0.6534 1.9174 0.7185 1.0367 2.3255 2.2478 5.5363 2.7168 6.4795
stachydrine 4.9238 0.1165 1.4743 4.6086 0.4393 1.0000 0.6245 0.3922 0.2153 1.2116 0.4520 1.8582 4.3973 1.4864 2.6758 3.8997 2.4271 1.7455 0.9435 0.5400 0.9239 0.4894 0.4373 0.5799 0.2720 0.3587 0.2742 0.5255 1.2916 0.3396 1.6780 10.2306 1.1480 7.2510 8.5060 2.3603 0.1236 0.1772 0.2040 0.1442 0.1494 0.9935 0.7589 1.2867 1.6606 5.6101 1.7215 3.5353 14.4796 4.0094 16.0664 1.8425 2.4246 0.3095 0.1741 0.2041 0.3532 0.2954 0.2185 0.7087 0.5852 0.7618 1.8607 1.0117 3.2009 2.0708 1.3817 7.6421 4.7169 0.6114 0.6415
succinylcarnitine (C4-DC) 1.4399 0.2337 1.8932 0.9867 1.0943 0.9293 0.9054 1.6362 0.9371 1.1215 1.0133 1.1038 3.6149 2.9347 2.1532 0.1980 0.3824 0.3394 1.7830 1.7657 2.0719 0.7716 1.3024 1.0523 0.8724 1.2325 1.1421 0.7885 1.0905 1.7091 2.4847 4.0264 2.7013 0.1980 0.1980 0.6030 0.7103 0.9230 0.8523 0.8326 0.7251 0.8885 0.6185 0.9557 0.8030 1.1006 1.1082 3.0608 2.6176 2.5017 0.1980 0.2352 0.2541 0.7128 0.5368 0.6488 0.6776 0.7428 0.7208 1.0287 0.7123 0.9033 1.7554 1.3189 1.2855 1.9627 2.3020 2.3444 0.2215 0.2626 0.2569
taurine 0.4892 0.0384 0.1990 0.6215 0.1280 0.1839 0.5359 0.4330 0.0874 0.7065 0.6087 1.7101 2.2824 2.3045 2.3166 0.1559 0.2865 0.5425 0.1291 0.1892 0.1281 0.1212 0.2929 0.1624 0.1085 0.2875 0.4348 0.6811 1.1583 0.4198 1.4292 2.2088 1.8124 0.0650 0.1220 0.1027 1.3815 2.3500 1.9944 1.0574 1.4639 1.6250 4.8138 6.0004 4.6759 2.6546 2.5139 3.5978 1.9465 2.9880 0.0834 0.7716 0.3884 1.0000 1.4210 1.6440 0.8283 1.6178 1.5627 4.6868 4.9352 4.3856 3.7501 5.1805 4.1454 2.8533 3.8034 2.4699 0.9745 0.7115 0.8632
tauro-beta-muricholate 0.0706 0.0010 0.0074 0.0171 0.0110 0.0063 5.6437 2.2533 2.1200 4.8778 7.3355 4.5979 1.9011 3.2506 2.0952 0.0086 0.0141 0.0171 0.0075 0.0165 0.0107 0.0080 0.0080 0.0121 2.4089 3.7632 3.6645 5.2574 6.2401 5.2732 3.4010 1.3014 1.9444 0.0081 0.0066 0.0041 0.1147 0.0067 0.0204 0.1251 0.0122 5.2094 1.7168 4.4211 2.1073 2.9347 4.1400 0.9684 2.1699 1.9056 0.0010 0.0010 0.0017 0.0153 0.0060 0.0161 0.0262 0.0096 0.0098 3.0512 4.0389 1.2043 3.7126 1.0000 4.4520 3.0536 1.4119 2.0981 0.0449 0.0011 0.0074
thiamin (vitamin B1) 1.7213 0.1827 2.5783 1.0651 1.6957 2.1246 1.0205 0.6882 0.3722 0.6349 0.6626 0.7127 1.4903 0.6620 1.7255 1.2829 0.8984 0.8506 3.0923 3.3780 1.7766 1.8060 2.5108 1.3629 0.7944 1.1486 0.6476 0.5475 0.7263 0.2141 0.6719 1.5397 0.7835 2.3052 0.5698 1.1751 1.3054 1.1284 1.4632 0.8388 0.8580 1.0000 0.9121 1.7715 0.5648 4.8653 0.5332 1.6899 1.5684 1.2671 1.1630 0.3529 0.5539 0.8518 1.0706 1.8347 0.2615 0.3256 0.5861 1.0484 1.2971 0.7101 1.1532 0.8454 0.7810 0.4455 1.6211 1.5054 0.4219 0.3651 0.0624
thioproline 0.3997 0.1710 2.3727 0.3593 0.2682 1.3425 0.3025 0.1267 0.1186 0.1820 1.4477 22.4678 32.8992 33.0136 31.4911 0.4381 0.3170 0.7683 1.4729 1.7268 0.5578 0.6584 1.0000 0.2830 0.1095 0.1359 0.1333 3.8065 17.9832 0.0950 23.2477 30.2985 24.8601 0.2202 0.0950 0.2344 0.6778 0.8458 1.1092 0.2403 0.3226 0.4002 2.5265 3.0533 11.0962 16.4809 3.4228 48.0475 18.8988 23.8744 0.1714 0.6040 0.6764 1.2795 1.7584 1.4274 0.3006 0.5447 0.4073 3.0996 2.5482 0.4112 25.5134 30.2917 18.7442 20.2737 33.3901 32.9169 0.1406 0.5261 0.0950
threonine 0.5262 0.2309 1.5371 0.2858 0.5738 1.0000 1.2807 0.6778 0.2527 1.9304 1.6927 3.0900 3.0637 3.5712 2.8787 0.2089 0.2507 0.1341 1.7579 1.6264 0.9598 0.9045 1.1481 0.5266 0.4896 0.9143 0.9179 1.7647 2.8055 1.1073 2.3597 2.4117 2.5173 0.3553 0.0259 0.3711 0.4956 0.4284 0.5628 0.2450 0.3563 1.5413 1.3629 2.5736 1.7055 1.9303 2.6354 3.2756 2.1108 3.0659 0.0669 0.1907 0.1699 0.3749 0.5159 0.5209 0.2287 0.3679 0.2916 2.1266 2.2291 1.4910 3.4709 3.1078 2.3101 1.6971 3.2574 2.5751 0.0793 0.1571 0.0433
threonylphenylalanine 3.0788 0.1620 2.2860 2.5807 0.9195 1.7156 0.5134 0.5567 0.4202 0.5385 0.5889 0.9229 0.8585 0.9789 1.0598 5.5803 6.6584 14.4047 2.0399 2.0295 1.6499 1.2568 1.4583 1.3630 0.5228 0.3246 0.4526 0.3805 0.7083 0.6298 1.1192 0.4852 1.0000 7.2237 0.4016 3.5165 7.4941 8.9249 8.3200 5.1855 3.5337 0.5480 0.5784 0.4778 0.7885 0.6511 0.5787 0.4139 0.9845 0.8922 1.9460 7.4261 9.9570 15.6742 8.2968 6.9186 9.9815 3.6825 4.4124 0.5584 0.5171 0.5762 0.3860 0.6905 0.8967 2.0254 0.6909 0.8564 15.9144 8.5151 14.7336
trans-4-hydroxyproline 1.7584 4.1480 5.8399 0.5794 4.3185 3.6897 1.0530 0.8286 0.4897 1.2129 1.0427 0.7595 1.3738 0.5438 0.8079 0.1570 0.9112 0.2204 9.0056 7.1572 5.0207 4.2951 4.8984 2.6891 0.9416 1.1522 0.5978 1.1445 1.3515 0.7036 1.2376 1.5684 0.8814 0.3436 0.1575 0.4489 1.5013 1.2474 1.8634 0.8515 0.8777 1.6679 1.3822 1.0472 0.9847 1.5952 1.0858 0.6738 1.5870 0.7416 0.2587 0.4288 0.2950 2.3565 1.4418 2.2285 0.7349 0.5710 0.8333 1.2577 1.0167 1.0000 0.7286 0.5109 1.1229 0.6293 0.4637 0.7178 0.3075 0.4161 0.3112
trans-urocanate 5.7624 0.3975 1.4465 2.1834 1.2177 1.4110 1.9580 1.7371 2.5402 0.8636 1.5985 1.1687 0.2749 0.3834 0.4521 1.9595 1.0000 0.4256 2.4909 2.2815 2.2083 1.3988 2.0097 1.3995 2.5303 1.5226 1.7025 0.7493 0.3797 2.3079 0.9432 0.0716 0.3596 0.9568 0.8970 1.7766 4.7307 2.9706 3.2553 1.3942 1.7068 1.1724 0.8453 0.5572 1.0824 0.5108 0.9942 0.4282 0.6715 0.5598 0.2786 0.4505 0.4222 2.4675 3.8068 5.2315 0.7317 0.8818 1.6921 1.2290 0.8734 2.0214 0.1575 0.7898 0.5551 0.3763 0.2628 0.4315 0.1904 0.1966 0.0598
triethanolamine 3.4281 0.7219 1.1356 1.3410 0.7580 2.5719 0.3186 0.5418 0.8542 0.4788 0.6929 0.5286 0.6017 0.4570 1.6815 3.1960 2.5893 2.3476 1.3945 0.9326 0.5231 1.4354 2.2025 0.7119 1.3091 0.2793 0.5261 0.2255 0.7213 0.5978 0.9913 0.9146 0.4014 0.6744 2.3144 1.2959 1.7744 1.9209 2.7633 2.4697 1.6996 0.6950 0.7380 0.5937 0.8395 0.2870 0.6978 0.8574 1.0000 0.8637 1.4873 7.0087 2.1381 1.0734 1.3732 3.5403 1.1199 1.4799 2.0012 0.7576 0.6528 0.8237 1.6735 0.7293 1.2760 0.6462 1.2679 1.1800 4.1504 6.3259 2.8485
trigonelline (N^-methylnicotinate) 0.0749 0.2373 2.0473 0.2229 0.8519 1.3946 0.3789 0.2316 0.1929 0.7634 0.2548 0.7965 7.2148 1.0196 3.1082 7.0151 4.1052 1.9326 1.1211 2.1252 2.6065 0.6294 1.6144 1.6986 0.2305 0.2909 0.1983 0.3597 1.0000 0.2329 2.0319 18.2888 1.8351 11.6513 11.4987 4.0099 0.0720 0.1353 0.1399 0.1472 0.1957 0.9820 0.6919 1.3930 1.2296 5.9416 1.1464 5.5173 23.9505 5.7459 24.3380 4.2718 5.3234 0.1635 0.2145 0.1455 0.2908 0.3277 0.2131 0.4922 0.4025 0.4957 0.8299 0.6221 1.7893 3.0167 1.7850 8.6104 6.8401 1.6413 0.7491
trimethylamine N-oxide 1.2516 0.4880 5.7113 1.5023 3.0115 2.6094 5.9106 11.8918 5.7443 3.9680 0.4750 0.4329 1.0921 0.2047 0.7780 1.0994 1.8754 1.8431 2.0228 2.0620 6.2911 0.9831 1.3718 4.0690 1.7854 4.3649 0.9203 0.0372 0.4524 0.4511 0.1148 0.4712 0.4309 0.3144 1.6298 1.6502 0.5102 1.0000 0.6570 0.5223 0.6410 0.3802 0.6604 0.7418 0.3571 1.4982 0.3252 1.3825 1.7554 0.9718 0.4363 2.3510 1.2726 1.1904 0.6426 0.8286 1.6942 1.7268 0.5419 0.9806 0.7865 0.4750 0.9602 0.3883 0.4991 1.9800 1.0657 1.5578 3.2688 2.3453 0.8501
tryptophan 0.6478 0.2053 0.6650 0.5267 0.3280 0.5262 2.2262 1.1905 0.6022 2.8620 2.7481 3.7474 3.2885 3.9865 3.1907 0.3873 0.4389 0.1804 1.0000 0.8849 0.4048 0.7723 0.6227 0.4092 1.0322 1.6028 1.4557 2.9522 3.4523 2.2796 3.1147 2.8799 3.3769 0.6876 0.2003 0.6998 0.8049 0.7958 0.8150 0.4971 0.7185 2.5876 2.3371 3.2803 2.5457 2.8394 3.5965 3.4219 2.7915 3.3674 0.3904 0.2888 0.3309 0.7016 0.8843 0.8655 0.5777 0.8516 0.6693 2.9826 2.9495 2.4711 3.5228 3.5652 3.2022 2.9837 3.2455 3.2546 0.2136 0.2297 0.0790
tryptophylglycine 0.5838 0.0736 0.6939 1.0149 0.7632 1.4084 0.6006 0.1604 0.1938 0.7779 1.8270 1.6779 1.3069 2.3052 3.1937 0.7098 0.5703 0.7484 0.6451 0.4138 0.5837 1.2065 1.4406 3.8631 0.2473 0.1939 0.1138 0.6196 2.7085 1.5278 2.8315 1.3956 2.2380 0.9863 0.0249 1.3314 0.7634 1.1424 1.1740 0.6364 0.9408 1.0266 1.0428 0.7844 2.5132 1.4384 0.8297 1.0137 2.4582 1.5395 0.0249 0.2536 0.1255 1.6368 1.7554 1.0360 1.7047 1.9786 1.0651 0.4575 0.3079 0.4847 0.4966 0.7545 1.5806 4.3347 1.9151 2.7491 0.1091 0.2316 0.0662
tyramine 2.4986 0.4074 0.9778 2.1098 0.5372 1.5448 0.2366 0.2366 0.6323 0.3669 0.6130 0.4067 0.2366 0.2366 0.2366 11.0928 4.2173 3.6793 0.9686 1.0000 1.0204 0.6671 0.7782 1.1545 0.5081 0.5116 0.3827 0.2900 0.3048 0.8210 0.2816 0.4102 0.2366 21.0929 16.7649 5.1025 3.5531 3.1768 2.7729 2.9254 3.9655 0.9200 0.7311 0.7749 1.1829 0.9721 0.7219 0.2366 1.0426 0.2366 59.3541 164.9137 111.5339 3.2154 1.6581 1.6087 4.0586 2.4161 2.9544 0.8382 0.6529 0.7480 0.2366 0.6217 0.6009 1.8783 0.3523 0.2409 49.9310 157.8353 42.6545
tyrosine 0.9078 0.1331 0.4049 0.5212 0.2211 0.7478 1.5318 0.7041 0.3104 1.7357 1.5566 2.6895 2.1003 2.2660 2.3056 0.5603 0.4092 0.5146 0.4968 0.5648 0.2234 0.5744 0.5110 0.3804 0.8739 0.8936 0.8261 1.9109 1.9890 1.8250 2.2857 2.0365 2.2697 1.0000 0.0828 0.8002 1.3997 0.8981 0.7809 0.4645 1.0737 2.3500 1.6225 1.7034 1.6065 2.0115 3.9934 2.0663 1.9420 2.4849 0.1832 0.3283 0.3467 0.9702 1.0343 1.0442 0.9966 0.9769 0.8653 2.7283 1.8638 2.0585 2.3790 2.0553 2.7568 3.4182 2.0846 2.3644 0.1706 0.4847 0.1115
tyrosine methyl ester 1.4654 0.1930 0.4254 0.5452 0.1930 0.5246 0.2681 0.1930 0.1930 0.5060 1.4313 2.0330 1.2489 2.4834 1.4887 0.1930 0.1930 0.5274 0.1930 0.1930 0.1930 0.1930 0.1930 0.1930 0.1930 0.2323 0.1930 0.5716 3.5102 0.2688 2.0039 0.6208 1.1393 0.1930 0.1930 0.1930 1.3179 1.2617 1.5998 1.0194 0.8933 0.7301 1.1601 1.2678 1.6941 1.1565 2.0777 0.1930 1.5962 1.6614 0.2830 0.5472 0.5649 1.5505 1.1482 0.9806 0.7108 0.7479 0.3618 0.1930 0.1930 0.6574 0.1930 1.4275 2.0018 2.0074 0.7401 0.9232 0.2785 0.7124 0.1930
uracil 4.4696 0.0630 0.8366 2.1834 0.3362 0.8936 0.5091 0.5291 0.1578 0.8503 0.6335 3.1797 8.2996 7.3084 7.8985 0.5618 0.5532 1.0000 0.3590 0.4032 0.1914 0.3764 0.5477 0.2599 0.3782 0.3681 0.3711 0.8927 2.3256 0.4472 6.1447 9.2710 8.7367 0.3396 0.1039 0.3245 4.2245 2.5340 3.2199 1.5531 1.2713 0.7049 0.8020 1.9464 1.7289 2.0791 1.9593 10.3848 5.8680 8.5902 0.1195 0.6161 0.4924 2.1538 2.6503 4.6248 0.7678 0.7518 1.5306 1.1968 1.8804 0.7259 3.9052 3.4487 2.4389 6.0120 9.7012 10.2701 0.1883 1.1515 0.1994
urate 0.1667 0.1315 0.1185 0.1314 0.4431 0.0919 2.3830 2.1788 0.8940 4.5481 1.9332 5.6413 15.3510 8.2772 20.6013 0.1692 0.2160 0.1310 0.5452 0.2201 0.5988 0.3209 0.1903 0.4431 1.5573 1.7601 1.6575 3.0559 4.0824 2.2125 7.9562 14.3961 10.0366 0.1394 0.3208 1.0000 0.0778 0.0352 0.0540 0.0435 0.0596 1.7619 1.7624 5.2195 3.2531 4.9057 5.2764 14.8289 11.8067 21.2736 0.0573 0.1005 0.1330 0.0393 0.0838 0.0967 0.0868 0.0984 0.0649 2.3515 3.7849 1.8857 5.3526 6.9064 4.4761 8.9546 20.1340 17.8745 0.1091 0.1188 0.1180
urea 0.0301 0.2920 2.1850 0.1381 1.6802 0.7421 1.7560 1.7296 1.3131 1.4509 1.1250 2.4235 2.0762 1.8231 2.9268 0.3868 0.3873 0.4524 0.2420 3.2163 1.1782 0.0183 1.7704 0.5632 1.2282 1.5483 1.6561 1.2025 1.7212 1.0527 1.4794 2.1496 1.5539 0.0090 1.2191 0.1955 0.0090 0.0090 0.0090 0.0090 0.0090 0.0090 0.0090 0.0090 0.0090 0.1047 0.0090 0.8065 1.0000 0.0090 0.0203 0.4012 0.0423 0.0090 0.0090 0.0090 0.0090 0.0090 0.0090 0.0345 0.1095 0.0090 0.7544 0.0272 0.0693 0.6798 1.3706 2.1410 0.8928 0.1019 0.4260
uridine 5^-monophosphate (UMP) 1.7618 0.0678 0.2011 0.9763 0.0678 0.0678 0.1019 0.0678 0.0678 0.2216 0.3504 1.0190 0.9181 1.7474 0.8823 0.6058 0.6426 2.3638 0.0678 0.0678 0.0678 0.0678 0.2773 0.0678 0.0678 0.0678 0.0678 0.1673 1.4356 0.0678 0.8747 0.4157 0.9810 1.2417 1.0869 0.1212 2.2071 0.5983 0.4067 0.7835 0.0678 0.3746 0.7907 1.5825 3.8758 3.2633 1.5718 1.1458 1.6684 1.3772 1.3349 2.5229 3.4060 0.1859 0.8830 2.3754 0.0678 0.3408 1.2692 0.4146 0.5944 0.3667 0.2695 1.9850 4.0488 1.6032 1.5591 1.3055 1.7598 3.5778 2.1390
valine 0.7977 0.1660 1.4418 0.5006 0.2782 0.8331 1.4524 0.9049 0.3813 1.9348 1.8531 2.8597 2.8887 3.1772 2.5628 0.2579 0.2449 0.2747 1.1016 1.0849 0.4923 0.5998 0.7228 0.3408 0.6540 1.0000 1.1182 1.9189 2.7153 1.3264 2.4881 2.2883 2.5347 0.3520 0.0391 0.3862 0.7028 0.6119 0.6664 0.3714 0.5078 1.7469 1.6101 2.5065 1.9142 2.0645 2.3866 2.7125 2.3241 2.7872 0.0809 0.1731 0.2045 0.4804 0.7098 0.7371 0.3396 0.6149 0.4120 2.1000 2.1442 1.6663 2.9406 2.7546 2.3916 1.9923 2.6166 2.5131 0.0657 0.1912 0.0335
valylglutamine 6.5231 0.0249 0.2882 1.6372 0.2131 0.5436 0.2026 0.0702 0.1343 0.1822 0.3812 1.0651 1.0613 1.0485 1.5625 4.5824 3.4537 3.5626 0.5524 0.3205 0.2676 0.5399 0.4190 0.4020 0.1202 0.0872 0.0843 0.2896 0.7359 0.2051 1.5771 0.8902 1.4486 7.5602 0.2310 4.3390 7.5179 7.8423 9.1674 2.2479 3.0774 0.3797 0.5177 0.5009 1.0000 0.8541 0.6307 0.7948 1.6920 1.4932 0.4436 3.3711 1.7553 8.3253 9.2957 10.1603 4.1602 2.5998 3.1467 0.4393 0.3155 0.4190 0.5288 0.8828 1.3528 3.9471 1.1892 1.3335 2.6238 2.6432 1.8722
valylleucine 10.4122 0.1071 0.9639 3.6893 0.4692 1.0000 0.4748 0.2488 0.4361 0.2950 0.3831 0.9036 0.9837 0.9103 1.7319 22.5299 21.2148 27.9288 1.2657 0.7307 0.8785 0.9836 0.8325 1.0998 0.3811 0.2465 0.3120 0.3588 0.4103 0.3089 1.4822 0.7596 1.2389 20.3618 2.8953 12.7420 26.9742 30.3471 34.2214 11.3267 9.0859 0.5476 0.6834 0.4362 0.7994 0.7112 0.5394 0.4186 1.9432 1.5826 4.2836 23.3282 22.5936 47.0366 40.4419 29.6529 19.6972 5.8995 8.7218 0.5286 0.4056 0.5263 0.4095 0.6145 1.0448 2.8259 0.8942 1.2555 37.1567 29.9200 25.9597
xanthine 1.9485 0.2019 1.1174 1.0929 0.7085 1.3615 0.3937 0.3193 0.1475 0.1820 0.6511 2.4474 8.3242 6.2510 8.7772 1.0971 0.7025 0.9980 1.0193 1.7465 0.8595 0.8212 1.5979 0.8767 0.2731 0.4082 0.4403 0.7020 1.5657 0.2191 3.6766 11.7524 5.8624 0.9562 0.3529 1.0000 1.4570 0.8118 0.8619 0.3850 0.7343 0.5662 1.0104 1.8415 1.4237 1.6166 0.7953 11.5522 5.4266 6.5747 0.3701 0.8776 1.2671 0.6360 1.1572 2.4269 0.6712 0.8175 0.8806 1.3649 1.7183 0.9246 5.7104 4.5177 2.3044 3.8379 9.7989 10.1956 0.4369 0.8954 0.1456
xanthurenate 1.5523 0.4689 4.0631 1.0000 1.7480 2.3976 0.7156 0.6732 0.2099 1.6495 0.8251 1.3936 1.0216 0.9692 0.9451 0.4527 0.9072 0.6220 1.7546 4.3642 3.1458 0.9611 2.8177 1.9197 0.5954 0.6423 0.6262 1.4686 1.5502 2.1357 2.1677 0.5810 1.7065 0.3127 0.4994 1.3465 1.2572 1.8697 1.4408 1.5957 1.5228 0.6012 0.7753 0.6383 1.0541 0.4466 0.8801 0.3068 0.5581 0.8946 0.1580 0.5554 0.8364 3.0267 1.2329 1.3478 3.4950 1.7407 2.0194 2.0890 0.8627 1.0737 0.7925 1.0676 1.2504 1.8028 0.7371 0.5833 0.4576 0.3642 0.0871
MS_METABOLITE_DATA_END
#METABOLITES
METABOLITES_START
metabolite_name pubchem_id inchi_key kegg_id other_id other_id_type ri ri_type moverz_quant
1-methyl-4-imidazoleacetate 75810 C05828
1-methyl-5-imidazoleacetate 6451814
1-methyladenine 135398646 C02216
1-methylguanidine 10111 C02294
1-methylhistamine 3614 C05127
1-methylhistidine 92105 C01152
1-methylnicotinamide 457 C02918
1-ribosyl-imidazoleacetate* 440569 C05131
2,8-quinolinediol 97250 C06342
2-aminophenol 5801 C01987
2'-deoxyadenosine 13730 C00559
2'-deoxyadenosine 5'-monophosphate 12599 C00360
2'-deoxycytidine 13711 C00881
2'-deoxycytidine 5'-monophosphate 13945 C00239
2'-deoxyguanosine 5'-monophosphate (dGMP) 135398597 C00362
2-hydroxyglutarate 43 C02630
2-hydroxyquinoline 6038 C06338
2-methylbutyrylcarnitine (C5) 6426901
2'-O-methylcytidine 150971
2-oxoarginine* 558 C03771
3-amino-2-piperidone 5200225
3-aminoisobutyrate 64956 C05145
3-methylcytidine 14237477
3-methylhistidine 64969 C01152
3-ureidopropionate 111 C02642
4-guanidinobutanoate 500 C01035
4-imidazoleacetate 96215 C02835
5-(2-hydroxyethyl)-4-methylthiazole 1136 C04294
5-aminovalerate 138 C00431
5-(galactosylhydroxy)-lysine 66995551
5-hydroxyindoleacetate 1826 C05635
5-hydroxylysine 3032849 C16741
5-methyl-2'-deoxycytidine 440055 C03592
5-methylcytosine 65040 C02376
5-methylthioadenosine (MTA) 439176 C00170
6-hydroxydaidzein 5284649 C14314
7-methylguanine 135398679 C02242
acetylagmatine 439661 C02131
acetylcarnitine (C2) 7045767 C02571
adenine 190 C00147
adenosine 60961 C00212
adenosine 5'-monophosphate (AMP) 6083 C00020
adipoylcarnitine (C6-DC) 71296139
agmatine 199 C00179
ala-leu-ala 23080784
alanine 5950 C00041
alanylhistidine 9837455
alanylleucine 259583
alanyllysine 4130575
alanylproline 83525
alpha-glutamylglutamate 439500 C01425
anserine 112072 C01262
anthranilate 227 C00108
argininate* 160437
arginine 6322 C00062
argininosuccinate 60150382 C03406
ascorbate (vitamin C) 54670067 D00018,C00072
asparagine 6267 C00152
aspartate 5960 C00049
aspartylaspartate 332965
beta-alanine 239 C00099
beta-hydroxyisovaleroylcarnitine 0
betaine 247 C00719
betonicine 164642 C08269
biotin 171548 C00120
butyrylcarnitine (C4) 439829 C02862
butyrylputrescine/isobutyrylputrescine 0
cadaverine 273 C01672
carboxyethyl-GABA 2572
carboxymethylproline 45116053
carnitine 288 C00487,C00308
choline 305 C00114
choline phosphate 1014 C00588
cis-urocanate 1549103
citrulline 9750 C00327
creatine 586 C00300
creatinine 588 C00791
cyclo(his-pro)
cystathionine 439258 C02291
cysteine 5862 C00097
cysteine-glutathione disulfide 3080690
cysteine sulfinic acid 109 C00606
cysteinylglycine 439498 C01419
cysteinylglycine disulfide* 22833544
cystine 67678 C00491
cytidine 6175 C00475
cytidine 2' or 3'-monophosphate (2' or 3'-CMP) C03104,C05822
cytidine 5'-monophosphate (5'-CMP) 6131 C00055
cytosine 597 C00380
deoxycarnitine 22620 C01181
deoxymugineic acid 0
diacetylchitobiose 439544 C01674
diacetylspermidine* 132680 C03413
diaminopimelate 439283 C00680,C0666
dihydrobiopterin 135402011 C00268
dimethylarginine (SDMA + ADMA) C21189,C03626
dimethylglycine 673 C03626
dimethylguanidino valeric acid (DMGV)* 101535539
dipicolinate 10367
ectoine 126041 C06231
ergothioneine 5351619 C05570
feruloylputrescine 5281796 C10497
formiminoglutamate 439233 C00439
fructosyllysine 9839580
gamma-glutamylalanine 440103 C03738
gamma-glutamyl-alpha-lysine 65254
gamma-glutamylcitrulline* 0
gamma-glutamylcysteine 123938 C00669
gamma-glutamyl-epsilon-lysine 7015685
gamma-glutamylglutamate 92865 C05282
gamma-glutamylglutamine 150914 C05283
gamma-glutamylglycine 100099
gamma-glutamylhistidine 7017195
gamma-glutamylisoleucine* 22885096
gamma-glutamylleucine 151023
gamma-glutamylmethionine 7009567
gamma-glutamylphenylalanine 111299
gamma-glutamylserine 22844748
gamma-glutamylthreonine 76078708
gamma-glutamyltryptophan 3989307
glutamate 33032 C00025,C00217
glutamate, gamma-methyl ester 68662
glutamine 5961 C00064
glutamine_degradant* 0
glutaminylleucine 44232492
glutarylcarnitine (C5-DC) 71317118
glutathione, reduced (GSH) 124886 D00014,C00051
glycerol 3-phosphate 754 C0093
glycerophosphoethanolamine 123874 C01233
glycerophosphoglycerol 54575349 C03274
glycerophosphoinositol* 167572
glycerophosphorylcholine (GPC) 71920 C00670
glycerophosphoserine* 3081457
glycine 750 C00037
glycylisoleucine 259613
glycylleucine 92843 C02155
glycylproline 3013625
glycylvaline 2724807
guanidinoacetate 763 C00581
guanine 135398634 C00242
guanosine 5'-monophosphate (5'-GMP) 6804 C00144
hexanoylcarnitine (C6) 6426853
histamine 774 C00388
histidine betaine (hercynine)* 3083620
histidylalanine 101180
homocitrulline 65072 C02427
homostachydrine* 441447 C08283
hydroxymethylpyrimidine 777 C01279
hydroxy-N6,N6,N6-trimethyllysine* 0
hypotaurine 107812 C00519
imidazole lactate 793 C05568
imidazole propionate 70630
inosine 6021 C00294
isoleucine 6306 C06418,C00407,C16424
isovalerylcarnitine (C5) 169235 C20826
kynurenine 161166 C00328
leucine 6106 C00123
leucylalanine 81721
leucylglutamine* 4305457
leucylglycine 79070
leucylhydroxyproline* 20847829
lysine 5962 C00739,C00047
lysylalanine 4106167
lysylleucine 4682588
malonylcarnitine 22833583
methionine 6137 C00073
methionine sulfone 69961
methionine sulfoxide 158980 C02989
methylphosphate 13130
N('1)-acetylspermidine 496 C00612
N1-methyl-2-pyridone-5-carboxamide 69698 C05842
N1-methyl-4-pyridone-3-carboxamide 440810 C05843
N1-methyladenosine 27476 C02494
N1-methylinosine 650095
N1,N10-dicoumaroylspermidine 15270795
N2,N2-dimethylguanosine 135501639
N6-carboxymethyllysine 123800
N6-methyladenosine 102175
N6-methyllysine 164795 C02728
N6,N6-dimethyllysine 193344 C05545
N6,N6,N6-trimethyllysine 440120 C03793
N-acetyl-1-methylhistidine* 53859791
N-acetylarginine 67427 C02562
N-acetylasparagine 99715
N-acetyl-cadaverine 10374713
N-acetylcitrulline 656979 C15532,C02851
N-acetylcysteine 12035 C06809
N-acetylglucosamine/N-acetylgalactosamine C01074
N-acetylglucosaminylasparagine 123826 C04540
N-acetylglutamate 70914 C00624
N-acetylhistamine 69602 C05135
N-acetylhistidine 75619 C02997
N-acetyl-isoputreanine 131802901
N-acetylmethionine sulfoxide 11902949
N-acetylneuraminate 439197 C00270
N-acetylproline 322640
N-acetylputrescine 122356 C02714
N-acetylserine 65249
N-alpha-acetylornithine 439232 C00437
N-carbamoylputrescine 502 C00436
nicotianamine 9882882 C05324
nicotinamide 936 C00153
nicotinamide adenine dinucleotide (NAD+) 5892 C00003
nicotinamide N-oxide 72661
nicotinamide ribonucleotide (NMN) 14180 C00455
nicotinamide riboside 439924 C03150
nicotinate 938 C00253
nicotinate ribonucleoside 161233 C05841
nicotinic acid mononucleotide (NaMN) 5288991 C01185
N-methylalanine 4377 C02721
N-methyl-GABA 70703 C15987
N-methylproline 643474
N-monomethylarginine 132862 C03884
N,N-dimethyl-5-aminovalerate 0
N,N-dimethylalanine 5488191
N,N-dimethyl-pro-pro 0
N,N,N-trimethyl-alanylproline betaine (TMAP) 0
ornithine 6262 C00077
o-tyrosine 91482
oxindolylalanine 20977764
pantetheine 439322 C00831
pantothenate 6613 C00864
phenethylamine 1001 C05332
phenylalanine 6140 C00079
phenylalanylalanine 5488196
phenylalanylglycine 6992304
phosphate 1061 C00009
phosphoethanolamine 1015 C00346
picolinate 1018 C10164
pipecolate 0
piperidine 8082 C01746
pro-hydroxy-pro 11902893
proline C00148,C000763
prolylalanine 6347578
prolylglycine 6426709
prolylproline 263469
propionylcarnitine (C3) 107738 C03017
putrescine 1045 C00134
pyridoxal 1050 C00250
pyridoxamine 1052 C00534
pyridoxine (vitamin B6) 1054 D08454
pyrraline 14274616 C21013
quinolinate 1066 C03722
(R)-3-hydroxybutyrylcarnitine 53481617
riboflavin (vitamin B2) 493570 C00255
S-1-pyrroline-5-carboxylate 11966181 C04322
(S)-3-hydroxybutyrylcarnitine 71464477
sarcosine 1088 C00213
serine 5951 C00065
serotonin 5202 C00780
S-methylcysteine
spermidine 1102 C00315
stachydrine 115244 C10172
succinylcarnitine (C4-DC) 71464481
taurine 1123 C00245
tauro-beta-muricholate
thiamin (vitamin B1) 1130 DG00125,C00378,D08580
thioproline 93176
threonine 6288 C00188
threonylphenylalanine 7010580
trans-4-hydroxyproline 5810 C01157
trans-urocanate 736715 C00785
triethanolamine 7618 C06771
trigonelline (N'-methylnicotinate) 5570 C01004
trimethylamine N-oxide 1145 C01104
tryptophan 6305 C00078
tryptophylglycine 263471
tyramine 5610 C00483
tyrosine 6057 C00082
tyrosine methyl ester D00762
uracil 1174 C00106
urate 1175 C00366
urea 1176 C00086
uridine 5'-monophosphate (UMP) 6030 C00105
valine 6287 C00183
valylglutamine 5253209
valylleucine 352039
xanthine 1188 C00385
xanthurenate 5699 C02470
METABOLITES_END
#END