#METABOLOMICS WORKBENCH benbessieres_20210326_201352_mwtab.txt DATATRACK_ID:2544 STUDY_ID:ST001745 ANALYSIS_ID:AN002838 PROJECT_ID:PR001118 VERSION 1 CREATED_ON April 19, 2021, 4:18 pm #PROJECT PR:PROJECT_TITLE Metabolomic profiling of the rat hippocampus across developmental ages and after PR:PROJECT_TITLE learning. PR:PROJECT_TYPE Neuroscience PR:PROJECT_SUMMARY The metabolic mechanisms underlying the formation of early-life episodic PR:PROJECT_SUMMARY memories remain poorly characterized. To fill this knowledge gap, we employed an PR:PROJECT_SUMMARY untargeted metabolomic analysis in rats to determine how the hippocampal PR:PROJECT_SUMMARY metabolome changes over the course of post-natal development under basal PR:PROJECT_SUMMARY conditions and following inhibitory avoidance (IA) training, an aversive PR:PROJECT_SUMMARY episodic event. We found that unique metabolomic profiles accompany learning at PR:PROJECT_SUMMARY different ages. Subsequent biochemical and behavioral studies based on unique PR:PROJECT_SUMMARY metabolomic regulations in the infant hippocampus established that infantile PR:PROJECT_SUMMARY learning selectively recruits the glutathione-mediated antioxidant defenses for PR:PROJECT_SUMMARY the formation of infantile memory. PR:INSTITUTE New York University PR:DEPARTMENT Center for Neural Science (NYU) PR:LABORATORY Cristina Alberini PR:LAST_NAME Bessieres PR:FIRST_NAME Benjamin PR:ADDRESS 4 Washington Place, Room 623 PR:EMAIL bjb11@nyu.edu PR:PHONE 6315684274 PR:FUNDING_SOURCE NIH #STUDY ST:STUDY_TITLE Metabolomic profiling of the rat hippocampus across developmental ages and after ST:STUDY_TITLE learning ST:STUDY_TYPE Developmental study ST:STUDY_SUMMARY Little is known about how the hippocampal metabolomic profile changes across ST:STUDY_SUMMARY development and in response to learning at different ages. To fill this ST:STUDY_SUMMARY knowledge gap, we employed an untargeted metabolomic analyses in rats to ST:STUDY_SUMMARY determine how the hippocampal metabolome changes over the course of post-natal ST:STUDY_SUMMARY development under basal conditions and following inhibitory avoidance (IA) ST:STUDY_SUMMARY training, an aversive episodic event. We found that unique metabolomic profiles ST:STUDY_SUMMARY accompany learning at different ages. Subsequent biochemical and behavioral ST:STUDY_SUMMARY studies based on unique metabolomic regulations in the infant hippocampus ST:STUDY_SUMMARY established that infantile learning selectively recruits the ST:STUDY_SUMMARY glutathione-mediated antioxidant defenses for the formation of infantile memory. ST:INSTITUTE New York University ST:DEPARTMENT Center for Neural Science (NYU) ST:LABORATORY Cristina Alberini ST:LAST_NAME Bessieres ST:FIRST_NAME Benjamin ST:ADDRESS 4 Washington Place, Room 623 ST:EMAIL bjb11@nyu.edu ST:PHONE 6315684274 ST:NUM_GROUPS 8 ST:TOTAL_SUBJECTS 52 ST:NUM_MALES 35 ST:NUM_FEMALES 17 #SUBJECT SU:SUBJECT_TYPE Mammal SU:SUBJECT_SPECIES Rattus norvegicus SU:TAXONOMY_ID 10116 SU:GENOTYPE_STRAIN Long Evans SU:AGE_OR_AGE_RANGE From post-natal day 1 (PN1) to PN80 SU:WEIGHT_OR_WEIGHT_RANGE 5g-250g SU:GENDER Male and female SU:ANIMAL_ANIMAL_SUPPLIER Envigo SU:ANIMAL_HOUSING Animal facility at NYU SU:ANIMAL_LIGHT_CYCLE 7am-7pm #SUBJECT_SAMPLE_FACTORS: SUBJECT(optional)[tab]SAMPLE[tab]FACTORS(NAME:VALUE pairs separated by |)[tab]Raw file names and additional sample data SUBJECT_SAMPLE_FACTORS HD4_PN1_1 NYSM-00454 Treatment:naive Sex=M; RAW_FILE_NAME=MyData SUBJECT_SAMPLE_FACTORS HD4_PN1_2 NYSM-00455 Treatment:naive Sex=F; RAW_FILE_NAME=MyData SUBJECT_SAMPLE_FACTORS HD4_PN1_3 NYSM-00456 Treatment:naive Sex=M; RAW_FILE_NAME=MyData SUBJECT_SAMPLE_FACTORS HD4_PN1_4 NYSM-00457 Treatment:naive Sex=M; RAW_FILE_NAME=MyData SUBJECT_SAMPLE_FACTORS HD4_PN1_5 NYSM-00458 Treatment:naive Sex=F; RAW_FILE_NAME=MyData SUBJECT_SAMPLE_FACTORS HD4_PN7_1 NYSM-00459 Treatment:naive Sex=M; RAW_FILE_NAME=MyData SUBJECT_SAMPLE_FACTORS HD4_PN7_2 NYSM-00460 Treatment:naive Sex=M; RAW_FILE_NAME=MyData SUBJECT_SAMPLE_FACTORS HD4_PN7_3 NYSM-00461 Treatment:naive Sex=F; RAW_FILE_NAME=MyData SUBJECT_SAMPLE_FACTORS HD4_PN7_4 NYSM-00462 Treatment:naive Sex=F; RAW_FILE_NAME=MyData SUBJECT_SAMPLE_FACTORS HD4_PN7_5 NYSM-00463 Treatment:naive Sex=F; RAW_FILE_NAME=MyData SUBJECT_SAMPLE_FACTORS HD4_PN17_1 NYSM-00464 Treatment:trained Sex=M; RAW_FILE_NAME=MyData SUBJECT_SAMPLE_FACTORS HD4_PN17_2 NYSM-00465 Treatment:trained Sex=F; RAW_FILE_NAME=MyData SUBJECT_SAMPLE_FACTORS HD4_PN17_3 NYSM-00466 Treatment:trained Sex=M; RAW_FILE_NAME=MyData SUBJECT_SAMPLE_FACTORS HD4_PN17_4 NYSM-00467 Treatment:trained Sex=F; RAW_FILE_NAME=MyData SUBJECT_SAMPLE_FACTORS HD4_PN17_5 NYSM-00468 Treatment:trained Sex=M; RAW_FILE_NAME=MyData SUBJECT_SAMPLE_FACTORS HD4_PN17_6 NYSM-00469 Treatment:naive Sex=F; RAW_FILE_NAME=MyData SUBJECT_SAMPLE_FACTORS HD4_PN17_7 NYSM-00470 Treatment:naive Sex=M; RAW_FILE_NAME=MyData SUBJECT_SAMPLE_FACTORS HD4_PN17_8 NYSM-00471 Treatment:naive Sex=F; RAW_FILE_NAME=MyData SUBJECT_SAMPLE_FACTORS HD4_PN17_9 NYSM-00472 Treatment:naive Sex=F; RAW_FILE_NAME=MyData SUBJECT_SAMPLE_FACTORS HD4_PN17_10 NYSM-00473 Treatment:trained Sex=M; RAW_FILE_NAME=MyData SUBJECT_SAMPLE_FACTORS HD4_PN17_11 NYSM-00474 Treatment:trained Sex=F; RAW_FILE_NAME=MyData SUBJECT_SAMPLE_FACTORS HD4_PN17_12 NYSM-00475 Treatment:naive Sex=M; RAW_FILE_NAME=MyData SUBJECT_SAMPLE_FACTORS HD4_PN17_13 NYSM-00476 Treatment:naive Sex=M; RAW_FILE_NAME=MyData SUBJECT_SAMPLE_FACTORS HD4_PN17_14 NYSM-00477 Treatment:naive Sex=M; RAW_FILE_NAME=MyData SUBJECT_SAMPLE_FACTORS HD4_PN24_1 NYSM-00478 Treatment:naive Sex=M; RAW_FILE_NAME=MyData SUBJECT_SAMPLE_FACTORS HD4_PN24_2 NYSM-00479 Treatment:naive Sex=F; RAW_FILE_NAME=MyData SUBJECT_SAMPLE_FACTORS HD4_PN24_3 NYSM-00480 Treatment:naive Sex=M; RAW_FILE_NAME=MyData SUBJECT_SAMPLE_FACTORS HD4_PN24_4 NYSM-00481 Treatment:naive Sex=M; RAW_FILE_NAME=MyData SUBJECT_SAMPLE_FACTORS HD4_PN24_5 NYSM-00482 Treatment:naive Sex=M; RAW_FILE_NAME=MyData SUBJECT_SAMPLE_FACTORS HD4_PN24_6 NYSM-00483 Treatment:naive Sex=F; RAW_FILE_NAME=MyData SUBJECT_SAMPLE_FACTORS HD4_PN24_7 NYSM-00484 Treatment:naive Sex=F; RAW_FILE_NAME=MyData SUBJECT_SAMPLE_FACTORS HD4_PN24_8 NYSM-00485 Treatment:trained Sex=M; RAW_FILE_NAME=MyData SUBJECT_SAMPLE_FACTORS HD4_PN24_9 NYSM-00486 Treatment:trained Sex=F; RAW_FILE_NAME=MyData SUBJECT_SAMPLE_FACTORS HD4_PN24_10 NYSM-00487 Treatment:trained Sex=M; RAW_FILE_NAME=MyData SUBJECT_SAMPLE_FACTORS HD4_PN24_11 NYSM-00488 Treatment:trained Sex=M; RAW_FILE_NAME=MyData SUBJECT_SAMPLE_FACTORS HD4_PN24_12 NYSM-00489 Treatment:trained Sex=F; RAW_FILE_NAME=MyData SUBJECT_SAMPLE_FACTORS HD4_PN24_13 NYSM-00490 Treatment:trained Sex=M; RAW_FILE_NAME=MyData SUBJECT_SAMPLE_FACTORS HD4_PN24_14 NYSM-00491 Treatment:trained Sex=F; RAW_FILE_NAME=MyData SUBJECT_SAMPLE_FACTORS HD4_PN80_1 NYSM-00492 Treatment:naive Sex=M; RAW_FILE_NAME=MyData SUBJECT_SAMPLE_FACTORS HD4_PN80_2 NYSM-00493 Treatment:naive Sex=M; RAW_FILE_NAME=MyData SUBJECT_SAMPLE_FACTORS HD4_PN80_3 NYSM-00494 Treatment:naive Sex=M; RAW_FILE_NAME=MyData SUBJECT_SAMPLE_FACTORS HD4_PN80_4 NYSM-00495 Treatment:naive Sex=M; RAW_FILE_NAME=MyData SUBJECT_SAMPLE_FACTORS HD4_PN80_5 NYSM-00496 Treatment:naive Sex=M; RAW_FILE_NAME=MyData SUBJECT_SAMPLE_FACTORS HD4_PN80_6 NYSM-00497 Treatment:naive Sex=M; RAW_FILE_NAME=MyData SUBJECT_SAMPLE_FACTORS HD4_PN80_7 NYSM-00498 Treatment:naive Sex=M; RAW_FILE_NAME=MyData SUBJECT_SAMPLE_FACTORS HD4_PN80_8 NYSM-00499 Treatment:trained Sex=M; RAW_FILE_NAME=MyData SUBJECT_SAMPLE_FACTORS HD4_PN80_9 NYSM-00500 Treatment:trained Sex=M; RAW_FILE_NAME=MyData SUBJECT_SAMPLE_FACTORS HD4_PN80_10 NYSM-00501 Treatment:trained Sex=M; RAW_FILE_NAME=MyData SUBJECT_SAMPLE_FACTORS HD4_PN80_11 NYSM-00502 Treatment:trained Sex=M; RAW_FILE_NAME=MyData SUBJECT_SAMPLE_FACTORS HD4_PN80_12 NYSM-00503 Treatment:trained Sex=M; RAW_FILE_NAME=MyData SUBJECT_SAMPLE_FACTORS HD4_PN80_13 NYSM-00504 Treatment:trained Sex=M; RAW_FILE_NAME=MyData SUBJECT_SAMPLE_FACTORS HD4_PN80_14 NYSM-00505 Treatment:trained Sex=M; RAW_FILE_NAME=MyData #COLLECTION CO:COLLECTION_SUMMARY Rats trained in inhibitory avoidance at PN17, PN24, and PN80, and the untrained CO:COLLECTION_SUMMARY (naive) control rats were euthanized by decapitation (1 hour after IA training). CO:COLLECTION_SUMMARY Their brains were quickly removed and placed in ice-cold phosphate-buffered CO:COLLECTION_SUMMARY saline (1X). Whole hippocampal samples were dissected and immediately CO:COLLECTION_SUMMARY snap-frozen in isopentane on dry ice. All samples were stored at -80°C until CO:COLLECTION_SUMMARY processing. Frozen samples were shipped in dry ice to Metabolon Inc. CO:COLLECTION_SUMMARY (Morrisville, NC, USA) for metabolomic analysis using a proprietary methodology. CO:COLLECTION_SUMMARY Extraction of samples was performed using a MicroLab STAR automated liquid CO:COLLECTION_SUMMARY handling robot (Hamilton Robotics, Inc., Reno, NV, USA); 450 μL of methanol was CO:COLLECTION_SUMMARY added to 100 μo of sample to precipitate proteins. Four recovery standards CO:COLLECTION_SUMMARY (DL-2-fluorophenylglycine, tridecanoic acid, cholesterol-d6 and CO:COLLECTION_SUMMARY 4-chlorophenylalanine) were added to each sample to determine extraction CO:COLLECTION_SUMMARY efficiency. To remove proteins, dissociate small molecules bound to protein, and CO:COLLECTION_SUMMARY recover metabolites, proteins were precipitated with methanol under vigorous CO:COLLECTION_SUMMARY shaking for 2 min (Glen Mills GenoGrinder 2000) followed by centrifugation (1300 CO:COLLECTION_SUMMARY g for 10 min at room temperature). The resultant supernatants were placed in a CO:COLLECTION_SUMMARY TurboVap (Zymark) to remove the organic solvent. Each sample extract was then CO:COLLECTION_SUMMARY divided into five equal aliquots, dried under nitrogen, and stored in vacuo CO:COLLECTION_SUMMARY prior to metabolomic profiling. CO:SAMPLE_TYPE Brain CO:COLLECTION_METHOD Brain dissection CO:COLLECTION_LOCATION New York University CO:STORAGE_CONDITIONS -80℃ #TREATMENT TR:TREATMENT_SUMMARY Metabolomic profiling was carried out on hippocampal extracts (five to seven TR:TREATMENT_SUMMARY individual replicates) obtained from untrained rats at four early, prepuberal TR:TREATMENT_SUMMARY developmental ages [postnatal day 1 (PN1), PN7, PN17 and PN24] and compared to TR:TREATMENT_SUMMARY the profile obtained from young adults (PN80). Additionally, the metabolomic TR:TREATMENT_SUMMARY profiles of the hippocampus 1 hour after IA training at PN17, PN24, and PN80 TR:TREATMENT_SUMMARY were compared with those of age-matched untrained (naive) control rats. #SAMPLEPREP SP:SAMPLEPREP_SUMMARY Extraction of samples was performed using a MicroLab STAR automated liquid SP:SAMPLEPREP_SUMMARY handling robot (Hamilton Robotics, Inc., Reno, NV, USA); 450 μL of methanol was SP:SAMPLEPREP_SUMMARY added to 100 μL of sample to precipitate proteins. Four recovery standards SP:SAMPLEPREP_SUMMARY (DL-2-fluorophenylglycine, tridecanoic acid, cholesterol-d6 and SP:SAMPLEPREP_SUMMARY 4-chlorophenylalanine) were added to each sample to determine extraction SP:SAMPLEPREP_SUMMARY efficiency. To remove proteins, dissociate small molecules bound to protein, and SP:SAMPLEPREP_SUMMARY recover metabolites, proteins were precipitated with methanol under vigorous SP:SAMPLEPREP_SUMMARY shaking for 2 min (Glen Mills GenoGrinder 2000) followed by centrifugation (1300 SP:SAMPLEPREP_SUMMARY g for 10 min at room temperature). The resultant supernatants were placed in a SP:SAMPLEPREP_SUMMARY TurboVap (Zymark) to remove the organic solvent. Each sample extract was then SP:SAMPLEPREP_SUMMARY divided into five equal aliquots, dried under nitrogen, and stored in vacuo SP:SAMPLEPREP_SUMMARY prior to metabolomic profiling. #CHROMATOGRAPHY CH:CHROMATOGRAPHY_SUMMARY The first two aliquots were analyzed by two separate reverse-phase CH:CHROMATOGRAPHY_SUMMARY (RP)/UPLC-MS/MS methods with positive ion mode electrospray ionization (ESI): CH:CHROMATOGRAPHY_SUMMARY one aliquot was analyzed using acidic positive-ion conditions, CH:CHROMATOGRAPHY_SUMMARY chromatographically optimized for more hydrophilic compounds. In this method, CH:CHROMATOGRAPHY_SUMMARY the extract was gradient-eluted from a C18 column (2 mm × 100 mm Waters UPLC CH:CHROMATOGRAPHY_SUMMARY BEH C18 1.7 µm column held at 40°C) using 5% water and 95% methanol and CH:CHROMATOGRAPHY_SUMMARY containing 0.05% perfluoropentanoic acid (PFPA) and 0.1% formic acid (FA) at pH CH:CHROMATOGRAPHY_SUMMARY 3.5. The second aliquot was also analyzed using acidic positive-ion conditions; CH:CHROMATOGRAPHY_SUMMARY however, it was chromatographically optimized for more hydrophobic compounds. In CH:CHROMATOGRAPHY_SUMMARY this method, the extract was gradient-eluted from the aforementioned C18 column CH:CHROMATOGRAPHY_SUMMARY using methanol, acetonitrile, water, 0.05% PFPA, and 0.01% FA at pH 3.5. A third CH:CHROMATOGRAPHY_SUMMARY aliquot was analyzed by RP/UPLC-MS/MS using basic negative-ion mode ESI in a CH:CHROMATOGRAPHY_SUMMARY separate dedicated C18 column. The basic extracts were gradient-eluted from the CH:CHROMATOGRAPHY_SUMMARY column using methanol (95%) and water (5%) with 6.5 mM ammonium bicarbonate at CH:CHROMATOGRAPHY_SUMMARY pH 8. CH:CHROMATOGRAPHY_TYPE Reversed phase CH:INSTRUMENT_NAME Waters Acquity CH:COLUMN_NAME Waters Acquity BEH C18 (100 x 2mm, 1.7um) #ANALYSIS AN:ANALYSIS_TYPE MS #MS MS:INSTRUMENT_NAME Thermo Q Exactive Orbitrap MS:INSTRUMENT_TYPE Orbitrap MS:MS_TYPE ESI MS:ION_MODE POSITIVE MS:MS_COMMENTS One aliquot was analyzed using acidic positive-ion conditions, MS:MS_COMMENTS chromatographically optimized for more hydrophilic compounds. In this method, MS:MS_COMMENTS the extract was gradient-eluted from a C18 column (2.1 mm × 100 mm Waters UPLC MS:MS_COMMENTS BEH C18 1.7 µm column held at 40°C) using 5% water and 95% methanol and MS:MS_COMMENTS containing 0.05% perfluoropentanoic acid (PFPA) and 0.1% formic acid (FA) at pH MS:MS_COMMENTS 3.5. #MS_METABOLITE_DATA MS_METABOLITE_DATA:UNITS pmoles/l MS_METABOLITE_DATA_START Samples NYSM-00454 NYSM-00455 NYSM-00456 NYSM-00457 NYSM-00458 NYSM-00459 NYSM-00460 NYSM-00461 NYSM-00462 NYSM-00463 NYSM-00464 NYSM-00465 NYSM-00466 NYSM-00467 NYSM-00468 NYSM-00469 NYSM-00470 NYSM-00471 NYSM-00472 NYSM-00473 NYSM-00474 NYSM-00475 NYSM-00476 NYSM-00477 NYSM-00478 NYSM-00479 NYSM-00480 NYSM-00481 NYSM-00482 NYSM-00483 NYSM-00484 NYSM-00485 NYSM-00486 NYSM-00487 NYSM-00488 NYSM-00489 NYSM-00490 NYSM-00491 NYSM-00492 NYSM-00493 NYSM-00494 NYSM-00495 NYSM-00496 NYSM-00497 NYSM-00498 NYSM-00499 NYSM-00500 NYSM-00501 NYSM-00502 NYSM-00503 NYSM-00504 NYSM-00505 Factors Treatment:naive Treatment:naive Treatment:naive Treatment:naive Treatment:naive Treatment:naive Treatment:naive Treatment:naive Treatment:naive Treatment:naive Treatment:trained Treatment:trained Treatment:trained Treatment:trained Treatment:trained Treatment:naive Treatment:naive Treatment:naive Treatment:naive Treatment:trained Treatment:trained Treatment:naive Treatment:naive Treatment:naive Treatment:naive Treatment:naive Treatment:naive Treatment:naive Treatment:naive Treatment:naive Treatment:naive Treatment:trained Treatment:trained Treatment:trained Treatment:trained Treatment:trained Treatment:trained Treatment:trained Treatment:naive Treatment:naive Treatment:naive Treatment:naive Treatment:naive Treatment:naive Treatment:naive Treatment:trained Treatment:trained Treatment:trained Treatment:trained Treatment:trained Treatment:trained Treatment:trained (N(1) + N(8))-acetylspermidine 474220 829741 607341 1049872 660981 506179 705549 446059 450430 657871 728342 1069548 725565 855313 650188 1030672 754111 720501 926984 611115 500018 547875 710457 731551 706083 670496 754226 806502 896148 787366 654091 604477 784762 811905 1002111 623623 869700 784069 788986 537843 755614 596013 609997 810279 697182 556202 702109 985426 432922 893273 611415 891327 1-methyl-4-imidazoleacetate 325832 438556 694895 526654 1570903 357266 323533 231610 237722 268006 1285777 1646317 1904285 1881505 1387623 1313175 1739679 2063278 1799554 1566173 1524690 1667179 1839206 2006525 1726160 2008281 2080954 2229556 2120042 2469184 2085960 2154052 2204549 2257762 2447328 2223629 2275554 2478646 970226 1166177 1229532 990141 696000 974059 1292379 1230411 1566040 1446922 1777971 1857762 1629282 1603618 1-methylguanidine 1325724 1560918 1321342 2179315 1286145 1247566 1486762 1330601 1293764 1750392 1017489 1180895 1185641 974844 924541 319120 1003775 1039177 1112224 818176 513355 1011812 981809 1240293 2217279 2249471 3170372 2283206 2538517 2719642 1694648 1762049 2291431 3192855 2233376 2499027 2168769 2682238 1746999 1327027 1289754 1373716 1146189 1601615 1481591 1573856 1538987 1757163 1666137 1456671 1466655 1695716 1-methylhistidine 5674859 11656375 6326887 11809283 5779133 2529277 2585246 2539678 2424831 1963567 4595593 5238976 7098224 8266474 2909130 2904014 4145473 6149016 6152279 4376987 4959617 3934925 3547170 4761589 1066408 1453707 2373895 2691344 2450528 3601938 1149415 2489539 2455683 3989923 3129153 2104366 2132958 1757513 706209 1553371 1581378 1115036 1052659 3301923 943286 1513984 1212035 1810977 1213877 480603 2219697 1-methylnicotinamide 1814785 5795560 2296107 2721259 1517560 2044323 3017887 1553125 11091584 11581662 8673147 15263988 7823382 12980816 14990368 14811237 15448281 15744116 14399955 16338597 15316509 18869106 10396439 7560456 9164437 7694572 7345047 8556360 8023005 8448909 7466955 9665190 7696634 9714084 8644079 7882351 5267822 5250063 4192017 4610951 4928416 6405719 5544793 3770341 4718272 5630671 5961111 4034641 5840363 5000305 1-ribosyl-imidazoleacetate 12140536 17487008 17067172 24337676 35097208 902601 933751 579131 505089 574962 1647258 2484245 2156410 2093111 3319351 2475923 4457096 1895779 2442103 2219740 2023710 3962777 4201416 4548311 1013832 747520 648620 757442 954973 698668 899972 471257 479901 595066 664460 955622 1621076 934161 288348 237641 153422 266590 102631 313213 200249 170314 271844 452159 154712 175461 263970 2'-deoxycytidine 25928624 36732460 28014344 40365524 28003682 47014872 48590980 38340600 46300768 49224632 51037172 57590552 53318984 58031972 43867124 53790688 56952656 60116272 54048864 51781472 44419784 58365192 61636920 70307376 54115740 53955824 66618448 60042140 67725048 60542808 50733000 58414080 61050480 66285676 62748968 61389680 64879200 58452756 23841776 20032540 19435676 16656457 18003760 27228718 21853818 16970600 21217592 24991028 19857032 21369388 25577382 27278084 2'-deoxycytidine 5'-monophosphate 449410 512818 448796 594336 462193 383908 357730 290299 318750 303653 408933 520165 399938 337286 328662 409948 423094 486091 559788 433346 331070 429376 457123 576220 1134616 1040835 1126641 1239169 1344564 1124879 983003 825622 1262519 1221289 1124116 1272470 1329698 1139613 690199 619552 706964 574998 532741 789186 836694 679292 897641 645916 808187 547276 775077 764147 2'-O-methylcytidine 952474 1119827 906783 1292056 995752 1090261 801035 681508 871773 642541 184646 245228 334892 250058 125521 246044 289235 295095 371928 274891 213132 274266 496012 516310 211349 186861 348690 265646 296813 252672 130612 143778 260808 450429 323485 284671 304859 183277 220924 206566 234462 261099 68299 302852 271320 129301 236241 268289 150998 276215 313501 2-aminoheptanoate 498491 557690 361811 606940 343715 389501 343298 374441 535367 358995 324663 362123 342099 347103 517119 415274 309672 706451 441736 703708 669581 627618 435691 497245 479555 412617 722237 482995 529643 512192 597539 417695 353755 575432 281028 328705 383523 244413 336593 381931 280274 354641 345299 321027 2-methylbutyrylcarnitine (C5) 526041 698005 393525 692878 3240827 2699859 1790132 1879258 1914035 1386863 1699867 1008140 1421035 1144417 2057667 2521888 1742881 1641795 1364385 1842574 1553909 1865547 1455944 1924017 1124172 2066864 1424384 1437553 1138916 1553670 2032304 2046873 1211303 1039148 1343564 1208235 1031992 840181 1018361 741744 749649 988334 616666 750640 1105197 1112204 1156782 1061801 976938 1137698 2-methylserine 16240684 19495634 17350172 22986212 5143095 1056672 4364976 1800726 1373714 1292658 3801098 902863 1198235 1223013 2669169 2201747 1152083 1238296 2087346 1892653 1288648 2366904 3122669 12278000 10463591 11181097 8753652 12487590 11258263 12205218 9930400 7695527 7145932 11617366 11231986 12044725 2312007 2911562 6017986 2123346 4584017 3430383 1693100 2818018 1758351 5210152 4196314 2527940 2661504 2-oxoarginine 624857 954787 795399 987661 820068 772238 993672 778927 907599 960411 578104 1156834 860160 798036 665425 484464 909511 961901 567770 711062 558319 1155535 988272 1269713 1444071 1428016 1994874 1273989 1620002 1241387 1379803 1060771 955920 1528080 1104289 1769155 1983007 1789779 1454497 1490650 810701 625721 779424 1097825 1155673 755856 935538 1393954 757385 1276263 1029836 1054834 3-aminoisobutyrate 2261154 2424659 1615034 2753176 1753015 1296800 1694156 842711 1396817 1559384 2895021 5763628 5075343 4969503 2216110 2350713 3195554 6647738 1268571 1635811 4785395 1846867 4218824 5181409 6489084 7964548 4793576 5227866 4020049 2531808 2403440 4835527 6152092 4267142 5217598 3387363 5563742 4755080 931667 3582976 3322982 2926311 3190403 5803798 3464949 3990095 3-hydroxybutyrylcarnitine (1) 1760651 1588828 1463029 1778745 1144033 3955531 4810810 3966062 3826002 3923693 7542805 7119097 7411284 9417422 6168715 4959088 8423120 7918052 7578840 7001503 6873321 7826160 6437018 6778018 1354841 1032381 1196752 1178755 1189222 1230661 935297 1100628 1702510 1535532 1157960 927764 1094669 980773 622828 452103 645050 737518 485100 539959 563572 661379 797076 641627 744624 568534 711524 821785 3-hydroxybutyrylcarnitine (2) 1854992 1930897 1330745 1879787 1439512 4180876 5076847 3870669 4397408 4422217 3615472 3874146 4271682 4599380 3349913 3428295 4438574 4617066 4488893 3870465 3710295 3928064 3644080 3190388 2011234 1544551 1780142 2095935 2166254 1944651 1447093 1902737 3226096 2531117 1770283 1498771 1764725 1449325 1617413 1230071 1534207 1614179 1592894 1460850 1099237 1727206 1627289 2151915 2015742 1450216 1615856 2049352 3-hydroxyindolin-2-one 376817 833359 351169 433357 387792 764159 396106 189660 410667 172320 473084 432917 1151086 419954 148436 389517 227912 272206 126581 380015 365416 262342 355647 128937 445989 3-methoxytyrosine 223050 275548 192427 378766 185572 669496 714487 827800 772128 765678 1407902 907392 1562888 1316480 1065490 1044349 1265616 1718285 1207731 1357285 1371330 1601698 2073083 2032342 212379 52588 146735 267218 203128 116818 144403 195346 121960 271988 150111 102032 114789 63484 84973 3-methylcytidine 1028836 1547981 1083523 1430113 1192884 1315303 1390821 1176428 1036719 1238631 2166009 2656384 1942397 2542007 1864119 2112693 2218578 2766652 2378412 2848741 2460484 3342397 2625065 2713359 7451182 8365296 9150831 8109752 8273201 7537992 6970346 6466154 7620072 7533201 6788546 7303550 8242130 7408544 6599132 6436827 5923026 6688715 5387460 6581996 7160460 5388199 6162321 7709681 6002395 7619857 6634032 7474501 3-methylhistidine 2392011 5239848 2682774 6029187 3783826 635347 784986 794747 673086 854538 4007304 7391659 5594172 6728490 2982955 3911870 4297196 6746506 5630015 4727121 4560035 4531326 4904141 7141499 1072747 617540 906094 333696 443494 607700 1156900 435788 852035 1808181 2005716 2580160 2154411 2776121 2279946 4784084 1385726 2072818 3783580 2632323 2955611 2638832 4628670 3-ureidopropionate 1255261 1769499 1995959 2104085 1494861 526345 462676 585109 464252 491383 469454 310532 491116 562139 248448 362647 434285 518836 357739 441473 248026 263907 238826 311724 377231 294218 423819 222623 241812 295012 118892 374204 383077 423112 249448 254505 266557 137583 110755 112889 82725 179316 140014 159904 94204 175437 4-guanidinobutanoate 6778935 10545347 6069060 10542264 6639111 54068876 65577904 51568116 55723620 60127848 155799120 176137056 159536128 163972640 129811304 141494496 186929472 185045344 179821136 166447424 171899488 186048480 190202160 197858016 178829072 163768480 239992480 155007184 179586912 195691616 138121472 194981856 184100288 223924160 170827840 142702000 190571360 168372112 73046896 58706896 67673688 49558900 51392684 82765800 86904144 68809672 71072096 80597320 70684800 75106200 73037136 81008712 4-imidazoleacetate 1691012 2093525 2762337 2416187 6937071 349599 389938 303041 200329 253417 241555 213031 684290 266145 616387 338209 906055 188578 713287 633160 583790 954401 806670 745698 276219 73479 113510 342170 287040 397948 219601 129727 247968 268081 323056 46149 291636 5-(galactosylhydroxy)-L-lysine 1849495 2441880 1937237 2628279 2183781 1326678 1518166 1229706 1338997 1559763 1170136 1488837 1230153 1324456 1013482 1275859 1264046 1402467 1449865 1341287 1464658 1686129 1504066 1554633 1421145 1411968 1673357 1498092 1552443 1362092 1210503 1193185 1346667 1639224 1333946 1493272 1547113 1525060 778677 881067 693732 587084 576457 765709 958848 708062 666612 817974 724064 834537 791459 828535 5-aminovalerate 4020923 6023915 3733595 7167490 3970380 6816004 7634354 7566847 6176602 7369644 11494978 15582046 16229421 16741679 14564798 5261312 10541204 15317420 14078778 10377017 5975336 10597568 11449380 12981953 17423780 17993056 19719452 12754907 13400813 12490217 11757425 14354655 15635706 20337784 12242565 13459483 14335829 14350322 19281176 19387984 19547720 17246176 18973596 17467088 18702336 16165910 15751087 18276196 15386864 15576277 20891704 16369966 5-methyl-2'-deoxycytidine 1452315 1958364 1430350 2131411 1359619 1851707 2298026 1636687 1960403 2213455 1523338 1895526 1678716 2120126 1431409 1383457 1655201 1893129 1807007 1683199 1608281 1855311 2120071 2266759 3319886 2433478 4505431 3227283 4139385 3190221 2471979 3965374 3603504 3445904 3767323 3227348 3555952 3168467 583700 569687 529210 587789 495633 1290006 618635 865722 924051 926816 758329 831454 954161 964250 5-methylcytidine 1429896 1733441 1374735 2231446 1728344 1779022 1733221 1411324 1441138 1526063 1846323 2445211 2222248 2125102 1917971 1815955 2277492 2652121 2417977 2700888 2442125 2304288 2740741 2972061 2529492 2475089 2932600 2605335 2886199 2426225 2111001 2463301 2702346 3158089 2403554 2325294 2919744 2928869 1179334 904666 1092730 1012206 934266 1271706 1247586 827925 1093451 1166806 1059681 1192917 1391525 1382711 5-methylthioadenosine (MTA) 16726467 26652036 18347814 30577532 24259756 20774736 21889892 17833928 19460940 21911196 15953511 21681732 19041412 20605386 13064097 16084991 20956174 24627748 23106854 19498668 19903836 23688520 27209692 26238816 23537170 24402726 32391502 26665016 30315190 26028870 21230546 24043366 26952832 36303936 24416444 25368278 27287472 27312256 13882199 13112337 11593609 9564497 10051192 13634796 17169328 10330519 13676204 16408252 13490057 16351984 13722405 16030456 7-methylguanine 4831530 6509637 5262466 6885833 6115437 3162796 3617669 2480277 2810813 2647141 1725645 2274486 2173183 2693204 1748587 1643121 2579951 2647257 1956421 2124044 2132578 2337144 2256337 2490850 1223958 1154385 1651100 1283936 1336801 1348538 1070046 1261405 1313579 1297835 1004816 1296186 1316270 1415987 794085 712095 648638 748972 600476 824350 929744 482890 792289 912070 838977 752878 936218 731164 acetylcarnitine (C2) 111365584 129214744 87293560 155530368 100166864 267566624 293387072 284472096 251592016 268569376 223058720 200485792 219458880 217220992 175402608 222311312 232135632 244047184 208193216 228082288 218398576 204033440 217244112 219882464 85044016 88242288 100209608 107950528 71993952 129437184 99539632 123181152 111135384 93710152 117357760 83535624 101890120 58460176 106180528 92654192 117343608 99586880 106321928 103258880 74897848 74555992 111857976 133539896 102814192 103829336 104021728 116848456 acetylcholine 695404 722992 194333 540004 457501 537044 385419 1488881 1390533 426865 1282578 507666 556524 1620511 1919312 3065274 2828243 1956776 1444517 1885920 2109189 1983734 2029354 1886321 1739809 1560177 1782229 1918015 635746 2000154 1884440 2090865 1657920 1614120 1848212 1318520 1103079 2201687 1487083 1189891 1511954 2508063 2093841 1393958 1889258 2156344 2377291 adenine 21035416 17388522 18911040 16337959 15900191 18708556 19615704 18978372 20342420 19052164 16141287 20164938 15655657 18504790 16525011 32997818 24801138 28090748 22719044 25647522 15756509 22734418 22868738 22994008 77936600 70076048 71170248 63653716 92305768 58855588 55700576 77932152 84010912 71451896 61884348 66554940 71632560 46436912 141819424 146538944 142803984 124203304 125056064 139396016 169274656 120719080 132624168 154051520 143372736 160246208 140722048 161331440 adenosine 75184112 77662528 81110088 74874944 96380144 72278288 74666648 75640408 110145528 83996592 46982128 24960128 67316856 64248516 39256280 29278456 47573332 46837668 41963520 30074504 31481204 19525446 40428288 41763504 16741223 16790520 19697260 14761272 17747640 17918274 14225668 16403209 17750444 20249496 17079340 18252244 17026022 17783418 26866718 46303368 102011264 49670048 36688208 31004064 66745520 191978720 32834602 53934952 71950288 96993464 36854108 44709916 adenosine 5'-monophosphate (AMP) 174646384 151135152 157782080 197306480 154989104 140273824 164278176 148801664 158029632 173411632 20167720 10455399 26914688 22309854 10970945 12016609 31771538 16110248 22118924 13401011 24049108 13053142 36213692 32508034 6394089 5524204 7079355 7007928 7182170 6679352 4866530 6091734 7042383 7267947 5824364 6750627 7324590 6777936 4455026 4982347 4526669 3429821 4574456 4262190 5782877 4150217 5240715 4284499 4910958 4882634 5413541 5643569 AICA ribonucleotide 75867 92140 66739 78647 177406 169154 264957 232889 169744 273987 130868 186848 248524 254413 134735 164971 263488 99565 73645 69742 66916 159664 80850 80336 125352 158194 99532 alanine 319233728 327171264 316281312 358130944 408508704 255075712 285907232 196205280 237790144 243125088 245194800 278826976 223741840 263585360 231610416 273608960 294174368 321884960 244497488 266570160 222077840 303658848 322183840 331188640 366063168 336986496 381502528 306951072 341464256 295458176 296793888 286977856 326742912 336695168 274783264 311567072 360851968 343559296 297206688 287967008 245107808 227097360 219991936 292581600 270935360 227405360 240062640 314596704 264874304 302051904 292395456 270913792 alanylglycine 602664 684271 191629 1149446 343578 623638 247802 383114 467712 459927 378660 387971 514526 680441 517716 635035 553468 446103 520722 707438 711809 789622 891394 646072 844037 1052695 754682 1312133 775212 329411 830643 744828 454907 582394 768915 611076 788897 361347 1019336 783416 729004 488059 877479 331287 664457 825740 alanylserine 201064 245360 133254 155159 307600 220877 133559 145401 116599 205124 78754 370765 192616 235390 472075 161947 357337 431103 305130 228380 268313 73544 133999 135428 79079 139795 223860 433701 253984 81047 122749 238699 argininate 319250 565073 375238 714028 464743 418569 623564 420417 582656 590214 495641 742551 500750 650411 559937 430410 698941 797777 494357 799578 785492 910846 962687 1075084 2221266 2822840 3740880 2561516 2799943 2539759 2367928 2307291 2623444 2945409 2754163 3053999 2666774 3194388 3595729 4263605 2890653 2333824 2328431 3586630 3629382 2478886 4201721 4067903 2831235 3678696 3893926 4398323 arginine 295200608 365532512 269221696 412839904 294757024 383144832 353223200 305632576 305588832 337867840 444079584 524613440 408012096 468440736 378820704 422761568 536416864 557943552 480092000 532261536 496843552 539018688 561974976 585500288 731523392 703870208 849794048 774682496 874316800 715620160 676902656 719285440 739034944 854303168 752152448 726547904 800563712 792239040 692640768 637615616 587207744 505475264 526591232 638441920 764973824 538354112 657227520 688166784 650301376 635908352 596398912 732787904 argininosuccinate 711036 922495 590585 1023768 602759 817392 934949 738869 746736 979769 853707 1321259 931513 1139354 860179 1096179 1568387 1468849 1215912 1129543 1343253 1337315 1617575 1553457 2371046 1855477 3006926 2503456 2868429 1944848 1721093 2053382 2563031 2934258 2207979 1873539 2268889 2544520 1134382 1057715 961600 781326 692252 1216368 1478989 778077 1095075 1339596 1145197 1308503 1023800 1158449 asparagine 82726080 108078504 77424896 104099736 79418120 83155440 90126408 74559448 76497976 93998088 74441792 112250408 71900600 84936288 74841368 104047464 101674288 101288728 84872928 90131472 90266440 114315872 120202824 128264720 120923408 96284400 118062528 108161368 126315936 120259896 86080024 101130368 114819656 121542320 104798968 91987376 119737376 105086504 96484208 76103400 68344488 70221576 58986380 74416608 85037232 68397200 80082360 98964496 73420952 75862896 79508896 75836376 asparaginylalanine 294309 331416 218331 277077 191120 307568 185099 234526 143922 214405 72032 110508 139153 100130 76983 186723 141107 182178 187250 283610 214237 188086 301715 202381 116643 128391 197470 202791 201265 210811 157589 143246 136326 212752 187517 162269 169293 145864 155833 94483 137950 77263 102338 158345 75101 135455 125811 128414 109282 98045 168881 asparaginylglutamate 147773 283239 74161 220205 239936 203365 210201 159011 157140 122028 181359 302826 200556 227390 176113 249289 340828 392652 330402 387282 356890 320024 289554 370448 326765 200897 250421 221688 257434 244183 267636 269308 306310 230367 235960 224050 288115 179938 169397 173188 143091 87737 137626 104708 151338 177690 156315 272932 183073 122984 aspartate 358649184 425254592 333585920 556504256 365917984 403934976 395755584 314878976 348467520 368986048 631907136 682739456 641724480 578635584 505659712 580230144 620464064 644407232 694835136 644600768 744143616 747805632 751403136 751165696 1125156992 1131181568 1298131200 1306442880 1308434304 1211668096 1031865472 1210399360 1180901120 1416300928 1275789568 1189298688 1240277632 1232849024 808467136 739742016 837253888 800095872 677958400 740424768 1018717632 798102080 893635008 860966976 935314880 904645120 842866496 982968448 aspartylaspartate 183554 251575 140704 305201 287503 205839 281053 164140 219469 209046 376594 417176 309565 420083 329672 352344 418973 443447 374328 388532 271981 473042 542297 609001 677006 673070 881170 666002 844997 573139 588288 516173 607693 761356 570870 709665 944095 848680 757817 595702 422683 445712 435244 571682 591783 360988 479125 757319 509594 753806 601489 585341 aspartylglycine 152125 271357 210338 340876 310547 163252 248339 154171 198339 179771 227925 330435 188773 250222 201917 318497 221574 335965 255123 280434 206419 363317 409547 415402 346522 334251 477239 250130 411905 289376 331694 228947 289814 291615 191400 317837 407778 327525 313385 193697 164926 127703 111479 235923 184285 110266 155656 309662 148361 269628 176789 203456 betaine 116145104 185899472 121974656 209744608 124232800 142327840 174184352 137419456 173800944 158653712 151571392 202127136 179098752 160284384 178521328 157084736 234296000 211154496 202588976 194714784 197814944 206346176 215983952 224360096 248587008 249394224 314482048 246670848 270017440 217383104 185816576 233991040 267641696 301780512 247459296 207917216 231893984 237119488 141819328 134104192 132712816 91300256 108107752 158694208 183490704 107328248 120806728 125612880 125039416 109711968 124808608 138662864 betaine aldehyde 231946 152569 189161 368546 339785 474008 361051 424914 400338 363631 254747 472655 375146 282879 480849 636119 1183667 621898 385582 396195 1907939 1722997 2482669 1930508 2506554 1646393 1176482 1864458 2597286 3135937 1869185 1497341 1634548 1698666 1259864 1267608 1258745 1127482 1282533 1015474 2380122 967746 1562867 1199157 1742122 1201643 1655310 1471793 betonicine 525521 636919 619269 921011 333557 155399 730718 255869 677885 399817 421100 582633 551862 421727 718523 479301 406117 539477 622863 597558 89644 176138 149753 204761 butyrylcarnitine (C4) 7236380 5433075 4205089 4041248 5246920 23712444 23397836 16354229 16138122 15627843 7854323 6640253 9446133 8396189 7993571 9180139 9156925 7504490 7987437 8365812 8979273 9318082 7574354 7541331 1617582 1133811 1287910 2084675 810735 2006088 1269343 1571048 1675681 1762457 2123890 865767 1594010 636822 922500 1304260 1340911 992784 186504 1051022 487941 1536640 527315 450121 742458 carboxyethyl-GABA 527208 596987 370011 599377 265801 616211 496102 765167 174660 805751 589089 780249 769914 662386 687769 471524 605526 619613 970986 852201 766509 853593 770525 932811 778862 893618 1165246 990728 1056146 1068750 903560 1012054 1018731 1243407 920365 822086 853270 915533 1073067 823013 832968 657639 986072 792458 1043617 769172 949791 777675 975227 955871 844392 1101070 carnitine 60106300 62512856 56307864 74320760 58120472 255627152 244486768 226536880 233018768 235744000 285404288 294929984 274226688 325477088 301537440 339924160 352502944 372112896 361689792 343864864 312681088 319807840 292852512 341724736 291080832 286374432 370387968 338020480 343867136 315464960 261441136 323992064 377016544 367832800 303812768 277383680 316404672 308090176 187231824 188575296 183538656 187052144 175909408 177412080 185513136 144534256 196971888 217905856 221877056 204974528 206286272 238461344 carnosine 873624 1154662 997191 1810781 1258716 1601573 1594565 1314341 1696606 1044674 829748 1077987 736998 1148601 6186976 6364757 7977554 5806165 6471616 6924612 5781068 4861907 6235796 7591956 5729496 4602192 6909342 5366084 12420131 8285395 10638137 10043973 9022689 8748284 13549130 6927360 9430782 11150685 10190222 12629818 11981817 12596099 choline 877001664 1055162048 808280192 1064532224 742227200 903109760 945726016 902475072 876859904 969759936 923611904 1037294976.00 1000514816 896505344 824183872 730551552 920441856 929676416 936122432 938065280 1091057152 1015837248 1166702976 1145050112 1136610048 1192866560 1358787712 1284638336 1337825280 1309821184 1076274816 1074667264 1222147840 1316050560 1202369536 1157854464 1211602432 1287826688 993965568 883856896 876289472 820580736 828379328 907563200 1009050304 844542336 916032576 892012800 925126912 930740096 914738496 989679488 choline phosphate 886544448 984438976 889457344 1117820928 754381632 818984512 807626176 780820288 758717888 840076416 691988416 811750080 743953408 708182848 717975360 736832320 816036224 785575616 802660224 898278272 837122560 893964800 867781376 913169216 991021184 975979712 1068195264 1033990848 1104639616 974799616 909423936 963186368 1046924480 1079032704 955569856 936351488 1020620608 1030414976 901005248 864571008 841581312 828687360 827084288 816435712 918644992 804206592 839301312 879526080 865952128 872981568 885626816 883256448 citrulline 282608448 277261760 266415488 331791232 286493824 270283040 291892384 239122032 264256976 277435776 234096160 269519488 237777296 269537920 213041888 241720928 252984816 251499568 220029136 275853440 264503088 218292416 253251808 278844224 180216832 209381344 207323872 198243152 204699072 187834112 177935552 224357408 170834080 216855472 220012496 226436608 213057008 204582128 90402240 96833712 74046216 87090152 86904416 94448432 100779512 102523904 95671216 98590704 109104296 107379648 91878328 97458088 creatine 3865775360 4187392000 3987821312 4751615488 3965919232 4476657664 4444851200 4319084544 4076342784 4592041984 4830188032 5088059904 4999768576 5088364544 4736466432 4989524992 5389889024 5407165440 5280274432 5419806720 5063617536 5218274304 5484030464 5768518144 6354223616 6019180544 6550137856 6452358144 6871874048 6269549568 5908101120 5994563584 6709583360 6592528896 6256740352 6184899072 6440686592 6441186816 6026719744 6054570496 5902089728 5970578944 5751304192 5993344000 6527374848 5711400448 5872634368 6199214592 6410827264 6115080192 6184302080 6447078912 creatinine 58923408 71094040 66842868 79850888 68416720 68546440 70862416 62431432 67041248 65392208 71452176 81210368 80353440 82626288 71403248 75997744 84449760 89005912 80873136 84441360 77730152 90700856 88674240 102355056 120852952 123440752 137328128 134374144 133873088 115631880 107727232 110280936 134392480 138369328 124302472 108944376 129673144 134650016 132320784 102890352 99216264 93933264 92551904 116545056 127909200 90977240 99283168 116581816 116390800 110034816 112955264 129869496 cystathionine 108612264 119513696 104878952 157522064 112810176 70996224 68297776 53442536 62271796 79966368 15226434 24827074 22130892 26017426 14571971 19268160 26013340 27691900 19986268 20373158 18744400 21268008 22209484 28238534 10471858 9218534 13947074 11767083 15521623 13040438 10239984 10224299 11085130 13802451 11741861 12099169 13396482 11579069 7864257 6778158 6324596 5285988 5430653 7777824 9619071 7204132 8492490 9175801 7697254 8721157 7134812 9372664 cysteine 675451 1239276 705830 1492866 970038 1141229 993066 696713 1085918 947044 1316381 1406657 897161 1799119 972729 5152799 2295908 2738037 1857966 2570354 3998979 3242149 2639895 3035925 8565714 8675949 12024405 9425715 11154664 8351579 8021721 9147015 9917548 11068816 8799484 9076137 9925728 10884554 11791666 11506516 9557651 8085198 8762989 11285092 16737232 7231914 11339471 13710881 12881064 15826378 12262610 15528257 cysteine sulfinic acid 145827 315194 153893 402190 201408 104210 209668 93617 58761 77039 326262 384898 230370 247717 266005 228016 217856 229720 187807 131565 204114 248178 276699 612326 579970 434716 550560 387591 412362 371942 396317 523692 571541 379762 422018 588050 502075 339621 215612 314940 352090 253142 307842 189259 276468 265002 260503 267799 287245 345946 241562 cysteine-glutathione disulfide 5884558 7050055 5857416 8444470 4509678 2365878 3057816 2323914 2846738 3462150 4171312 4630958 4211397 3931570 3863924 1745724 3159563 3352246 3684205 3041223 2766694 3609174 3819813 3951671 8725973 10161388 10802005 8825559 7988019 8282161 6957880 7249135 8495820 11044426 6120961 8548921 9391988 7667705 16123777 12558727 15497987 13029069 13111359 12660003 14463693 11748473 14321563 12763474 12200330 13991193 14161295 13583286 cysteinylglycine 430472 217220 223634 477173 266509 198396 200536 941888 676016 1287976 773064 864654 753574 846846 924990 1141693 1025569 846784 832320 1048062 2150208 1275165 1410262 1180072 1103343 1609387 2249106 1699703 2000004 1372894 1445026 2009063 2129438 1711927 cysteinylglycine disulfide 1341474 1357524 1369963 1443949 920503 108749 413648 348190 241769 439204 571839 569363 920873 180812 694807 223818 74366 68174 62487 704072 124556 836911 715602 517112 292106 170785 757141 389463 112746 98743 140192 352532 101047 cystine 125702 164130 242899 210084 104179 664657 459226 238471 474929 208574 233416 121134 108558 90623 593534 450781 466505 504081 187928 392596 341810 237338 540807 585883 cytidine 128012656 156375376 123394928 173169008 123974648 121615408 120973952 104365696 107563304 130563672 114111168 141207776 123924392 128873008 97286896 114739272 132264848 136936512 129094112 140169184 119136112 137732928 140882016 159493808 151819872 152651056 173232176 164785392 179982048 165820352 144789616 141137344 150660608 164093840 155807168 154720800 172535104 167321760 109898184 104254032 101073512 92052416 87052720 104328000 126392752 90459120 108605568 113330128 109192832 116434016 105467760 121743952 cytidine 5'-monophosphate (5'-CMP) 14844338 18337362 15782490 21291796 17342730 11821981 12828232 11996385 13077286 14341331 8140979 8948031 8875496 8348674 7107259 8528588 8868197 7944402 8896439 6679928 8332638 7422168 9743580 10263756 7416061 5674824 8207645 6588034 7569171 6960337 5759456 6658807 7233787 8421694 7534914 6675738 7314278 8277652 3344454 3046133 3191050 3200313 2747331 3499766 3669515 2875562 3333398 3969140 3764275 3736845 3813644 3518234 cytosine 1857227 1909140 2097070 2114702 1715142 1040224 1275854 1169675 1228331 1479258 517068 629607 737228 488405 432678 412440 456145 486981 423553 260187 395005 631544 477369 653221 588203 754960 775978 531529 805470 629999 634672 527795 801049 686365 730504 716495 661016 163609 304674 220453 122221 229726 deoxycarnitine 34505652 45360816 42208016 52243520 38504948 38657432 46040768 35168272 41561352 40181508 92564872 89719888 82599968 89392408 72341248 84337248 107328080 105430104 106561936 110432272 89893728 94622624 101364216 117126416 186575072 165270960 216886480 179867952 174299424 178183760 146237488 167196048 201716928 208786096 161359232 158782864 159900128 176873376 82373072 73035056 81227440 88230784 48008368 76901280 71588856 85043344 68012408 123791576 82166272 95753272 143008688 102569584 dimethylarginine (SDMA + ADMA) 23066746 29777290 20994926 32178248 21672522 15687893 14580727 12016367 12505779 12777952 7451621 9673242 8979588 9066328 6193532 7769418 9841992 10295718 8783926 9190655 9358850 9400527 11232500 11358498 10598808 10176380 13146690 12287868 13642831 11934849 9174955 10203729 12046988 14294849 11060085 9996309 11998200 10793993 7089255 6860921 6174545 5428121 5717767 6151565 8525079 4122519 7165838 7173736 7396660 7298712 6276335 8128668 dimethylglycine 10234456 20664480 15554159 18229476 11976513 9745341 16768907 9344152 9244379 11017531 8747646 9959730 11825084 10442481 7212765 6885975 12383406 10900686 10028616 9508383 9320362 9492465 13467254 10990112 2754211 2426145 3115012 3851182 2985000 3981294 3287581 3206709 2731582 3615920 3873298 3735021 3229079 3060948 1054429 1263970 1019026 1211317 1092938 1306111 1642990 817068 1516753 991797 1378194 1432450 1555991 1741699 ergothioneine 829718 3410821 1477872 2461492 1851087 2974088 4149002 2736911 1477348 2568121 1162650 1440157 409731 1869411 810979 3618009 2830870 2804892 1731398 932999 903001 1255684 1635084 1815031 682383 696148 2196990 426865 2399280 573257 525321 1027134 1290491 2021154 897269 722629 618526 807417 3799123 2752796 1631285 2154418 2051473 2296156 4197592 1579405 2280383 3649901 3427744 3415265 2257304 3340262 formiminoglutamate 1428597 1911926 884386 1953266 1020563 487542 697484 495396 655664 510522 759705 1201520 742824 1188169 732409 729019 1107572 1046953 823666 736408 861951 1005218 1291743 1863150 749601 573595 918473 534185 679880 668054 565451 414224 538464 756222 475516 805303 769654 658172 436548 450233 262650 202414 296806 421512 378577 237207 376911 421970 222304 436234 395738 468544 gamma-aminobutyrate (GABA) 330555136 439493184 326335200 404618656 337400224 588679936 673091840 561823360 588793024 625699584 893437184 960495168 826556800 937741632 765772608 949991168 1028621696 1076916608 980753920 1048932544 1029726784 1128434816 1119369984 1146134016 1599380736 1436605312 1706884864 1555489280 1660865792 1504668544 1331316864 1510115200 1756700800 1803861632 1516269312 1528749056 1564119680 1589074432 1399336192 1278729216 1372686976 1336412288 1238101504 1406527744 1539225216 1307526144 1398222976 1534394240 1404932864 1543080576 1438388992 1503169408 gamma-glutamyl-2-aminobutyrate 374454 591755 317081 573981 323856 174039 135619 141321 162037 156166 85916 149259 104413 104938 160434 132501 71388 137928 158207 171062 134107 93606 216974 135108 151898 97853 56226 105056 gamma-glutamyl-alpha-lysine 88307 235005 150266 85168 96246 139883 395295 422524 499135 460470 457495 381068 278270 325011 437689 523433 340789 406104 347435 416291 251951 144033 181074 154987 105688 299450 319971 235011 215707 257234 322759 320918 225606 277672 gamma-glutamylglutamate 8924187 12345708 9800353 15368058 11631053 9664374 14809574 9244089 11066518 12097120 18450230 20451542 12216494 18093432 17217084 19858372 19521528 20524810 14466218 13178488 15375557 22269800 22165680 24443360 76985384 67861640 79904456 51736088 64124356 47692816 65041444 42867672 53782196 61685684 40897192 70574296 72998264 79985536 85321904 59973580 50929456 45555004 50030748 72452856 58027252 41151772 44800680 77088328 53383740 79183120 69462024 60940204 gamma-glutamylglutamine 47520128 73855816 45208548 81511712 46015804 19464688 39062560 17566700 27623752 36179776 11776421 13804164 7962490 11437697 12852312 15803638 13509570 11748935 11785468 8748525 13033564 15665223 16145165 16727624 59066916 54788772 68455968 54921484 58292312 64583504 55314496 45345064 60144384 61853152 57947792 69875016 62898364 66387236 83989040 60941832 64435820 76348560 58271648 83464312 79729792 105229496 80294456 85734128 75417776 96079608 85020600 72101656 gamma-glutamylglycine 1762106 3999175 2250330 4685362 1811423 513922 1120005 982482 440525 425908 320779 300783 581696 255215 6420870 5737166 7174060 6681640 7172165 4989890 4013159 4882913 7867008 8963910 5036682 6017938 5042339 6219842 8657506 5059052 6630314 6001278 5288833 7456310 7423910 6393976 6817439 7913305 7304883 7953869 7706952 8853552 gamma-glutamylhistidine 106330 79269 93273 83137 118189 295457 298848 345038 350914 373987 233556 209436 234111 334324 433989 281299 285829 282868 341150 194788 102588 102634 103194 115710 103957 206529 110351 229337 242837 183836 197460 225010 176460 gamma-glutamylleucine 309143 519991 424840 643632 463023 173584 228616 107806 153730 214736 166813 127550 192676 102998 125766 205212 273147 181331 645207 445072 795225 650995 612248 554683 464143 445910 536005 741336 510797 569898 624898 616663 573599 402029 379852 345811 278645 469603 551398 279400 434184 527283 361829 538173 541054 540860 gamma-glutamylmethionine 311771 681707 362250 680271 302925 122466 159302 161835 187889 285238 188388 145556 293749 302022 430292 377679 202622 233285 417397 477526 347372 269424 263335 357332 340447 290141 345363 214450 275046 393601 603787 563894 326192 382765 400591 448207 347476 589554 gamma-glutamylphenylalanine 136095 136915 117581 115530 93191 456930 365681 545497 392902 350090 283065 338324 278268 368165 513325 283541 408757 450167 469803 326781 228830 256976 201818 160198 339936 392201 151544 244352 314207 224066 414769 283472 332688 gamma-glutamylthreonine 1340102 2279872 1996009 2392995 3449675 1732477 2748546 1409579 2299406 1867330 1932851 3067204 2012734 2972334 1992608 2002179 2625992 3185949 1607043 2023008 1667895 3253903 3323159 3769795 4869444 4869356 5940341 3190688 4472775 3224095 4197087 2525752 2897575 4278428 2377431 5607918 6161541 4862155 5065070 4149418 1988991 1660005 2553438 4285262 4162164 2268956 2687140 4592615 2413956 5081628 4471166 3689027 gamma-glutamylvaline 433411 704456 521365 800161 557342 195084 247447 123881 181676 306058 78237 251572 130737 126134 86210 100497 196906 132093 135229 236040 186199 222424 379965 406077 510662 391262 623470 413536 377895 358398 465475 541861 414258 413489 604390 464983 164104 282202 276065 211452 311508 242176 386221 218644 307955 423711 219194 385449 353415 349517 glutamate 2877660416 3110159872 2713715712 3661030912 2890011392 2983029248 3001531392 2720829696 2594371584 3172045056 3707509504 4167752960 3792950784 3845910272 3326850048 3685626368 4120827136 4063130880 4317941248 3958748416 4000233216 4108002048 4560528384 4482156544 5366810112 5241038848 5612958720 5677601280 5848434176 5709176320 5002280448 5236673024 5731373568 6094985728 5330123264 5290838528 5573482496 5665817600 4645765632 4342888960 4406194176 4374481920 4097839104 4576233984 4977696256 4105881856 4578970112 4786225664 4920949760 4861957632 4769746432 5025592832 glutamate, gamma-methyl ester 1668483 2325735 1760373 2222825 2160324 1946162 1893418 1528527 1650631 1583190 1912021 2071026 2125949 2594176 1945127 2570392 2511775 2685846 2227311 2343103 2288690 3262518 2274945 2327617 2876008 3235919 5248347 3579415 3895686 3566730 3365007 3580181 4949069 4330653 3109414 4086526 4684513 4536391 3493306 5173261 3061494 3227018 3365614 3820376 4517073 2952339 4018731 3861344 3672825 4677290 4145349 4614360 glutamine 1690080128 2024129792 1532300416 2297238272 1342522240 1363726848 1358686848 1059409280 1049879680 1467934720 1316282240 1644677120 1276258816 1463803008 1313438592 1576319744 1631676928 1628114432 1674344064 1613072000 1437152896 1679188480 1771833600 1792008576 2568143616 2456285696 2707413248 2537152768 2757211904 2563032576 2200341504 2548580864 2880864000 3158051584 2254086656 2396277504 2722920448 2505598208 2332891648 2107015424 2026545280 1911739776 1995464832 2102553088 2649046784 2050517376 2429345024 2295102976 2500773376 2746993920 2430497536 2459664896 glutaminylglutamate 525197 562736 499564 783403 626104 515553 573227 464424 617765 533967 563321 642332 435763 634866 469068 314856 764701 743487 645962 520519 459463 691133 786385 870082 618321 621445 550507 445780 546448 483421 538115 577633 522902 552312 458886 551120 609345 627780 423751 413078 376063 364325 277623 440691 367460 299738 349864 432736 345075 483790 395005 364882 glutarylcarnitine (C5-DC) 187196 71852 539541 692981 993370 989934 461351 704924 1057760 868126 542228 687485 686134 445866 1919360 1899440 2310618 1634756 1638317 1637652 1436682 1892617 2818455 2733400 1168758 949421 2018532 1190453 920499 885828 925176 1160790 686526 617750 651324 216107 737444 1013863 1071374 1091329 635041 860372 glutathione, oxidized (GSSG) 17904966 21175060 15248629 28624442 17404552 18396624 15153973 12921763 14299055 17103894 13192227 18070532 10241863 15254714 9735405 22529170 18102590 17248816 16582799 16726788 18738916 17548962 19824208 20067616 25709124 21260284 30679872 24102920 28626740 29024236 23579660 23176468 25659984 28890290 24756164 25723890 26529528 26888660 17557006 18563418 17138806 14542699 18989758 18421304 22223728 14335167 19770114 21314394 20528740 21425032 21809088 22787048 glutathione, reduced (GSH) 3397570 4225000 3968198 4800594 5615668 5434792 5810214 3776231 5742818 4941754 5142675 6577155 5031485 7361500 4581459 15287039 7970243 9199204 5391584 7078960 8233264 10350849 8621190 11373609 11557470 10383385 15958531 11233756 13085212 10186959 11815804 10132806 11130406 11889074 11141383 11348165 14697633 14163242 5972002 6884204 4476011 4474468 5179293 7553660 9483185 4695835 6376751 9617481 7320000 11063524 7461585 8382452 glycerol 3-phosphate 34483488 29815400 25019112 36618512 27057382 15158654 15958698 17085336 12829070 16726651 4010985 3418156 5711398 3720262 5223059 1991762 3756505 4821538 4234757 4980171 3309355 5726862 6122941 7978276 3389969 3530885 3660643 3815315 4264381 4325192 3532832 3434146 3880325 4002147 3373301 3728884 3912206 3163008 4419693 3850821 3877789 3885221 4061319 3949187 4682288 5523842 4303647 4237650 4061762 3948346 4126304 4693544 glycerophosphoethanolamine 48630948 54867444 46233152 51890452 53517624 48049816 45822976 42841544 41756896 48905204 48821368 55349848 49133472 48145244 50536372 40376788 45163824 47397736 51239668 44331028 39133256 45454320 56820336 52023128 76916664 75863768 82214064 80553552 84343400 79958064 71405064 75162336 82233904 81982904 81082784 74175960 78023192 73719360 113182304 119236552 109705320 100299640 106286056 99960928 127432136 95294792 111120376 108912040 109791576 108150920 109559096 117688784 glycerophosphoglycerol 12857513 14306100 12236252 13590816 13544244 17241548 19156104 14993948 17804972 18142100 12906232 14233248 13747232 12431504 11797029 15379287 14661218 15098911 14844283 14139536 13894920 13978352 16401393 16594413 23262924 24015078 24677632 23223204 25557450 24610684 24985946 24164600 23332366 24983074 22920528 23216836 27556648 24434360 22401768 19601910 18968300 21442190 21045544 21570316 22442474 18255928 18334992 23886302 22442212 22547422 20326188 24004380 glycerophosphoinositol 536444 710567 422546 675790 607264 815231 960845 770405 892296 927526 1093494 1248472 1032050 1138897 968323 1201674 1252969 1347372 1059601 1149841 1026113 1269965 1467146 1565290 2009902 1990335 2201898 2139097 2067496 1785958 1858989 2037311 2117064 2214929 1873848 2010071 2263363 1961470 2108501 1870890 1374521 1722994 1685757 1921712 1742865 1660293 1510641 2275832 1789601 1995264 1642570 2150407 glycerophosphorylcholine (GPC) 341264256 382234368 304844896 341210272 368424224 246905632 222855552 214487104 224365488 271480224 90928120 104352176 100158632 74346368 93713544 98677544 66976952 63663316 93258536 67979152 75897536 63309424 136624128 122035608 174887936 147843904 177043488 180951200 180369344 201687040 163797408 175250144 190979952 171547600 232129936 164156576 190285936 133402264 360195392 367520224 330017856 323010336 341302272 325081664 415707200 199164704 318795296 385607680 332876160 342601184 360189536 373198496 glycerophosphoserine 272453 333619 210943 434240 383032 485689 419317 417895 439205 483012 1095068 1374827 952035 1228116 761454 1404000 1554557 1373307 1232880 1463212 1344655 1743191 1429373 1282665 1890552 1570075 2041093 1445220 1835205 1364326 1214714 1607489 1797645 1802980 1546678 1648672 1822141 1469029 1694205 1752581 1487155 1430134 1549767 1778703 1984421 1126633 1232494 1874082 1652865 1655947 1637778 1903846 glycine 71189232 90708816 69920144 98948232 66178408 53032008 56799300 49173216 46659508 56192796 38856724 45689476 35945840 43631652 34318604 42974284 43978796 47102936 41438024 42582372 43095748 48486920 49677308 51791108 86936944 82728144 95747904 84537296 95540768 75419888 67117512 73971344 88138112 100767392 79282464 79180672 84227680 88007368 97167960 81527856 83175144 77884336 73473504 93270768 100999072 76285744 84594816 98487680 91400592 97858144 96707248 97732248 glycylalanine 277931 407772 523903 489944 521565 722857 473520 370060 261570 452812 540196 400531 531669 429733 549398 819954 624670 279503 572363 575407 646753 652891 765731 848027 678754 768768 750590 727512 654692 666573 604416 1022509 834216 519689 707125 782264 776123 509131 465291 368669 554762 406752 1280466 148096 549652 472923 470217 475977 537624 263016 glycylglycine 389535 520420 394580 540458 509898 456232 534292 327419 392367 394436 375254 349768 212584 338602 232809 326104 370343 376371 328136 273680 239644 411883 375050 355415 389345 464085 409053 375999 352941 319345 344447 388968 417994 372817 368762 428904 463554 363549 335072 318861 341131 205901 211603 288593 437753 188045 272197 388995 246325 367133 298080 360160 glycylhistidine 84074 160814 125487 124087 307680 169844 203358 205772 217036 242548 228690 210672 315320 120022 265795 329918 321890 308857 285127 155608 310766 333156 237270 133048 348771 290389 205310 149464 112803 236609 206301 164708 62685 248911 141697 128664 guanidinoacetate 38361356 38541696 34179312 48612948 31705302 34640988 56797112 36347200 32406904 41145256 11620158 15088559 14906494 15362238 13065040 11788227 12421782 16670785 13606495 14179043 11187225 13104321 13465104 15829785 15756477 15909948 17549660 13816412 18720732 14624398 13066173 14305580 14243934 17022352 14263991 15111540 14712426 15495914 12849262 12518837 12117156 10863645 12208118 12618478 13651758 14174745 13470763 15328770 12962277 14181458 12635302 15095003 guanine 5710395 6243892 6222741 5783167 6077674 2280527 2991781 2767899 3237337 2985601 1295233 1442563 1332913 1368450 1250792 861176 1300345 1365957 970567 836063 771846 1319138 1398188 1356209 687401 653581 833934 462851 613587 572936 664777 521783 552161 621955 469264 682181 830985 806463 431931 560011 279316 384522 331073 469435 376529 372792 365044 544370 386873 527624 496347 406880 guanosine 5'- monophosphate (5'-GMP) 37015544 45512396 40301244 54406008 39194384 46433084 55367832 42504248 45570892 49060120 22134180 15736552 23409406 24416868 15243639 22592580 32565804 20739296 23829652 14162208 28000778 16625163 35654732 32258554 1077006 769089 1881313 1128363 1282307 1281522 902105 1424900 1661360 2062171 1491865 1263319 1048558 1706817 498864 839345 582626 495232 576029 531048 1115991 560616 802111 605185 600278 823250 711906 745851 hexanoylcarnitine (C6) 714493 456390 660620 1105209 540759 1206254 2095879 1509014 1448504 1478699 1114079 2846440 2682616 2600856 1640001 983096 2291150 2065772 1275047 1740966 2128637 923521 2246828 2319623 973514 2720437 1256258 1473278 1381680 1416304 1329019 1527666 1875397 553050 1595341 1158331 665506 831560 1350678 1230975 1389060 1237781 509484 1324018 1145751 1408208 1277801 histidylglutamate 227081 298502 396956 346278 343198 342295 352978 383035 362466 176093 282054 158048 277498 159532 332167 397843 408234 311837 343139 324545 329916 402494 487732 441657 439495 713877 453772 589432 563162 483931 432168 492771 704280 489431 481533 640685 453431 274025 286628 305534 94362 219709 266805 349827 232021 250692 294298 266103 287268 226492 300086 histidylglycine 325576 482349 255430 354553 127751 322704 173663 129344 195914 172883 120024 93599 146230 112978 129669 145443 247400 350104 363933 329864 526012 742190 798176 665135 1434215 552019 649186 877420 476692 584988 886902 564821 1006232 667329 785416 541695 551927 220087 309217 688050 972954 612455 558433 732675 745458 714410 515479 950868 homoarginine 19255122 23282072 15424925 25876644 26363376 6850610 7368902 7582944 5672898 8556029 7064224 8904781 7712331 8390307 6798201 6822456 10035253 9445383 8715942 9312938 10701074 10361697 10696999 11283971 6886196 5076156 6890726 6377605 8491213 5907497 6301305 5907009 7437710 8551800 5723223 6752958 6647931 6712788 1695547 2080636 1533763 1153501 1817138 2481773 2498912 2150015 1903070 2292387 2779387 2483770 1752231 3179466 homocarnosine 109239 99461 63997 71155 15156717 18496780 15537127 25784626 19300414 22829706 21238596 20149904 25509090 24994228 20718540 23388330 17973554 26229704 105077600 102320440 133776712 103989704 110946912 97319328 90903168 85671520 98191024 127632944 87103616 78076456 112547552 100675984 101289256 101244960 91775296 80985312 73039976 91987712 135232464 75815808 108832888 108910608 110697448 121117072 95937696 126130120 homocitrulline 2341203 4294302 3081871 4760788 3132286 573205 1136899 607641 966050 696725 2449492 1586063 2187225 3687057 1477251 1225400 2079157 3452475 2147740 1728673 1885739 2990643 1401432 2140616 1978760 2071363 2951249 2764780 2255606 2696193 1404379 2490512 3092064 3584583 2274238 2284298 2771149 1962217 814319 1453567 1812859 2136413 1344946 1986119 3168434 1494082 1877252 1291495 1969969 1994461 1734296 1894816 homostachydrine 1434556 2326410 1718964 3317735 3512901 460146 1108647 462289 493134 479014 1145671 1956814 789902 1364971 1412764 1836029 2130070 2156992 848160 1580071 1388675 2524500 2850709 3564803 6353546 5888160 10059095 2950190 6411820 1888114 4022852 3256897 3603481 3802663 3046527 4172954 7173595 4605498 2545655 2021043 793634 624181 1164054 1976611 1465610 238403 792752 2629927 1254293 1501576 2064519 1079321 hypotaurine 40734352 44314812 32695212 37837672 40270080 22573876 31998236 20666424 26944642 30439018 29915744 42872968 34146356 43998040 23466196 46191032 36292240 38680252 31851852 25730896 28703044 34819836 34251224 38132448 37910200 27784996 42808400 28448732 38323280 41725384 34947424 34096988 34193288 43324844 35853108 33201726 42164636 36780244 16828052 16866488 13705013 17605000 15654843 20386372 22518560 21966616 20669780 22691048 17219924 21697272 16813070 19987164 imidazole lactate 268960 333973 285587 504472 353784 343697 379695 264672 410855 323927 468311 608904 649633 662275 549440 549127 627685 670714 579413 658262 626152 903890 1026341 938858 315033 244053 334960 276678 298562 235060 311586 250161 221078 320001 251485 326609 353124 299347 132313 173420 108897 95378 86598 189106 165125 69931 113576 144063 215294 180339 164587 153485 imidazole propionate 355951 542580 479290 766805 1318125 79573 525825 372312 933617 673352 669413 695574 618658 424138 854134 411344 496641 560310 554464 389481 1073729 1216354 871502 1089852 1156171 1228591 844751 979405 726607 797900 856884 1070555 1129680 1005151 230171 191331 360955 152232 187541 614459 192495 376867 356329 344583 528012 341821 335483 640781 isobutyrylcarnitine (C4) 3444907 4244279 2843953 2328654 4356622 6434163 8092631 5864687 5266459 6613775 2780907 2942522 1519687 2972338 2484940 3819900 3955729 3543851 2580883 2595872 3081408 2484914 3526143 2588266 2546276 2056983 2998493 2014585 2458413 2995611 2233360 2323399 3979906 2992359 2023783 1798707 2003589 2659799 1067633 1050083 1568768 1207775 1097988 1373639 1055434 1704341 1915371 1487186 1219871 1208351 1611656 isoleucine 176690304 220673904 201045568 261003840 194160192 215555408 210315520 178546480 171253696 204913520 187280800 224460816 156505968 195122592 134636592 172561376 212574336 220005968 191076432 212576352 204073696 238408048 254816976 263476992 293789984 279818080 337175808 299558944 344438848 284694720 250662240 271137312 315952352 346428672 276617856 292097632 339844224 304922432 207671984 204306688 193244496 160709248 158213984 200469216 224454928 154743408 198889888 209388608 200363856 225756080 206437664 221171072 isovalerylcarnitine (C5) 2153032 2804865 2067522 1508995 1309655 6478022 7795912 5482302 4563788 5841905 3412653 5191183 2779303 4526075 4247087 6921082 5997835 4880828 5217178 4818186 5562231 4353505 5239410 5216678 4208324 3449906 5227406 5217976 3668369 4942055 3277622 4400462 4814973 5505765 4132399 3236338 3573425 3705297 1810823 1650563 2077409 1472528 1890105 1302127 1556745 1380965 2019969 2051503 2085269 2078426 1664558 2140835 kynurenine 442843 723845 508943 830755 156554 261504 389432 322875 149879 300694 1594587 2091747 2256655 2240058 1423406 1414252 1645586 2128846 1744199 1541470 1772998 1771033 1872210 1621902 335424 338778 398216 412461 407195 407989 263566 405231 464274 670187 304949 427518 458060 860431 722340 650825 1073965 471867 691957 834764 1002521 727230 729399 919671 892084 1046154 834799 835256 lanthionine 270387 346276 550608 498576 883486 559249 654017 883214 233877 494773 608625 327320 546029 922897 1085873 173399 198559 716087 503567 722041 800286 638303 1165415 480542 443827 753120 524228 582773 459287 851412 1030350 764827 664091 386607 331302 202650 663583 455268 807055 280702 691827 553084 91948 leucine 236896880 285866272 250608928 341073920 213853776 246643840 248770368 207025184 193175552 245299360 194996096 254925808 185458016 212193424 160073488 200669296 241358560 251135040 226501760 251189472 248417488 269118144 289454368 292023904 344830208 319803424 384102368 363864512 420071392 353260256 288571424 335693088 389225920 426735360 345489216 334536608 377311904 340543424 266469616 248509104 243578800 204953616 201165104 244332384 287671872 192747104 262156240 257314256 257180032 257106720 247494832 289146720 leucylproline 228008 94685 82922 144267 103706 104880 141613 86990 203327 166434 220646 230859 209246 321721 214194 340444 219735 212886 175033 229760 208139 143656 195382 261290 240015 314847 219845 151561 107125 215631 243187 75086 225371 209883 113624 216607 176426 211495 leucylserine 111969 216632 122002 69125 104183 169635 194844 100142 126297 452734 407294 605709 417599 437911 402605 442850 368125 570425 381912 450426 452104 476890 183862 489097 314973 216861 148256 391207 771352 269433 577852 393931 407179 619938 490698 602982 lysine 213837488 260682720 192553040 298588192 230719072 213442288 211586336 188354768 178237728 210747696 230844768 252196864 219049152 236348768 182649280 233839744 276265760 286206400 257087632 270757440 249002768 272598592 297043872 291019488 311750272 278890560 344607776 333507392 368180288 299003296 279741440 279474560 323548800 356750208 311902400 310322624 322106400 346710592 221779840 217556336 193875552 171304736 175293296 224842432 234021040 183319824 208619824 227090400 217653808 223808240 206544480 225545248 malonylcarnitine 245771 402150 319131 404374 206387 491280 479365 413877 403492 432568 656731 827271 957785 852768 612598 708284 811553 820907 947346 924720 815464 789109 810459 784415 916150 1037514 1364746 1105731 1498345 1246125 895659 1063057 1212260 1477822 1250732 1157961 1124165 1225765 545370 520288 573749 486673 563151 463578 540070 448561 510736 540771 681220 675560 482324 763063 methionine 87266552 118324024 90001440 119788840 100240328 116354048 114590936 103406824 106317056 111992712 107297648 131214344 127579416 131972552 96978936 132375024 138750512 147886208 142205904 161874352 160470064 162603216 173401216 176581200 207230656 188845680 251749344 229897968 258042640 228553024 187775216 211321632 250818400 267837696 221171360 232691328 238187056 221272512 165764272 156549664 143285616 129279344 126265176 169341936 194363472 140513984 165081392 166406032 173073872 163392528 158526912 191668288 methionine sulfoxide 7217282 9922669 6539428 8852308 7361301 7361203 8600624 7589117 6731703 7619408 10948575 13176644 11338492 9806133 11074128 3933499 12188757 10742828 11310789 11764744 8262372 11606765 14315674 13923117 12654305 12029297 13353786 13086119 12807043 11861229 9943631 9537783 11943722 13443290 10741324 12449850 13135676 12487866 9035396 7435885 7869422 7305320 6374310 8425058 7401167 6906239 7275651 8650090 7970188 7375593 7946594 7922781 methionylaspartate 106377 48991 70019 76261 74741 362781 332952 423799 334343 406278 250607 263934 352368 433158 407182 310500 348537 442237 325732 327797 347223 376575 317828 333655 247988 458695 363880 410283 446978 324095 391367 310657 504299 methyl glucopyranoside (alpha + beta) 1463122 1568941 1376948 1449344 1632580 738160 549639 647416 674218 612454 566909 650408 230570 601477 738831 224013 285173 588594 593154 581588 648491 769339 707106 606151 1575888 1628193 1380469 1735496 1326801 2353300 1703218 1572946 1274336 1722467 1768733 1975450 1795048 1743202 1040094 655524 754416 1089365 1003731 957111 1231512 1022376 870539 744516 469105 927939 1194496 1109307 N-acetyl-1-methylhistidine 718785 641072 152040 269198 345327 145933 103379 98837 102677 161557 493885 605666 701501 859675 481188 435503 771577 721257 679736 683519 631762 587362 754319 941141 98581 111498 421883 445536 525318 229415 258906 477404 420647 579789 471900 395885 452614 107326 446722 183934 90790 142699 88716 289769 175602 128240 322749 144874 195178 311764 398154 403045 N-acetyl-aspartyl-glutamate (NAAG) 132454808 136541200 117153384 149912624 134757104 176667792 171577120 154440480 159003584 172343344 164753632 168799808 154173888 157493440 126459544 160996720 188040864 172030288 166669728 162982368 185363744 201540480 185165728 199652960 157465360 137929728 154919328 148230736 146779920 145946640 134533232 137186784 151214256 153991184 141760736 144514128 155804000 152754912 112781448 114573904 107543056 102706776 107865824 118429944 133746448 112474032 120674768 117838496 113676696 130734248 122878864 122482752 N-acetylarginine 1179661 1676669 1348993 2044285 1277205 2571133 2615032 2604727 2166437 2535511 6608067 10020952 6689694 9196693 6379005 7615621 9068272 11294755 9507963 10531391 10788508 9198982 10242392 11399694 19060244 16918058 25926544 17824788 22658350 21647656 17106708 20295164 19420084 23642072 23026772 22024364 16128745 23895428 12273248 13350643 10088931 9923571 10087487 17090320 15418201 11922683 13755074 16814180 12544401 13509935 13342490 15961849 N-acetylasparagine 4929385 5019354 3355287 4912738 3627828 3210165 3137015 2596175 3527292 4411410 5408653 6352682 5715883 5787967 5746691 2955624 5274959 6163151 5902547 5521457 4241075 6460627 6033238 6749361 6073277 5815828 9689875 7905497 7638856 7008497 7840390 7351206 8595792 9874349 7051252 8975756 8921671 5582617 8062612 5248270 3892484 3809162 3009538 5398380 3859638 4347034 6103056 3438480 3462618 5603508 8081735 4650963 N-acetylcitrulline 618620 1594822 1638859 1459343 1555814 1647557 1722608 1705766 1496359 1781554 1851361 1761443 1988212 2169388 1148825 1121730 998351 1806457 1632541 1616121 1743425 1679591 1417895 1413342 1744035 890447 870235 N-acetylglucosamine/N-acetylgalactosamine 4212349 4340369 4078356 4699974 5208352 7137173 8138429 6079669 7233511 6445579 10384138 10484059 8252863 9437069 9267228 10486124 10821006 10994495 9202524 11549404 10195862 13646291 11480197 12096253 10719956 10283886 11468422 9733961 9549567 9786764 9109534 9469304 10720065 10781990 9554194 10232610 11722668 10645745 7835848 7786056 6500380 6486961 5587391 7861281 6098746 5605057 5973090 7044885 6657506 6595573 7119158 6081964 N-acetylglucosaminylasparagine 1378572 1691683 1332267 2099310 1426488 1177227 1228031 939864 929229 1011593 1007358 1130076 972888 977193 829146 902122 1020142 1244430 1155886 1061463 1020299 1167797 1213515 1116332 1473041 1676217 1943210 1848587 1663011 1628224 1479680 1706656 1905234 2120979 1509022 1548621 1679791 1615824 1506287 1443295 1330130 1279650 1157293 1595536 1710122 1322082 1341175 1588358 1502568 1689184 1436537 1542993 N-acetylglutamate 3127901 3286489 3532069 2714835 4483479 5538430 5432306 5148975 6041395 4109006 16888242 21134214 20324152 19578472 17984926 17245448 18913860 22520912 20128552 21943528 18326424 21286476 20289588 22863064 29387792 28333294 34500448 28192096 29555730 31094024 25416536 27921076 30312844 31194104 25234332 30967022 32355472 29939120 26432756 23152580 22182144 23688592 21624780 20862116 23380384 26287744 23349634 23859396 26805960 27225486 26382072 25370308 N-acetylglutamine 9478215 9824820 3917213 6007138 6927912 8505961 4257019 3867849 7348661 9196637 14984388 18413396 16035936 16780892 14557320 15267230 18030622 22161660 18454900 21128860 17811088 20220752 19311220 22695684 21607192 19217256 42117824 29464624 35378424 23276928 31564936 34727904 40241440 42723712 31479398 38334884 39165684 19982634 47742624 30663808 17223980 15827977 16385882 31056424 22024082 17551128 34576368 16921816 18166342 40242844 52034404 29575674 N-acetylhistidine 415307 487206 207646 373256 262324 166866 87960 106649 194013 232079 324591 297818 452565 398350 240494 225915 313973 394919 431731 410010 437747 388697 344377 402763 100562 252139 170067 214046 235884 250825 166196 313453 309773 220895 258785 266169 120759 128981 107224 71898 143206 100508 64544 188818 181479 133276 N-acetylkynurenine (2) 281472 369810 515207 541689 242408 226953 289224 448957 323304 367929 302926 343396 408749 353418 74751 N-acetylmethionine sulfoxide 547491 730899 385559 674360 637841 745474 827351 723789 708573 599184 1966468 1724281 1718047 1334262 1315426 707200 1675791 1671239 1776864 1772334 1580536 1747384 1803728 1458828 1410331 1298042 1633308 1653198 1330771 1814019 1350687 1502143 1548921 1784118 1465323 1569678 1356067 1326118 1230857 1444225 1807790 1525198 1228244 1293597 1424015 1214301 1337582 1453602 1315643 1673402 1540714 1637550 N-acetylneuraminate 8994281 11273831 8009922 9672600 8091058 18720852 15741718 14815050 14230311 16858296 35733176 42378276 38243096 37161168 33254624 37677144 43465868 40869308 40375336 42955432 42971516 46480316 46335560 43959048 49817512 50638684 52748540 53108964 54909144 49777552 43514584 44675632 50369800 51057608 46752760 44158416 51687372 49966744 34972460 33946056 33100320 32539080 30538108 32400862 39628720 30750768 33087560 34856624 37513288 36504712 36760808 37135016 N-acetylputrescine 2749454 3621307 2689964 4099639 3612844 2489821 2212042 1723017 1827032 2473170 496600 585882 499349 613802 365508 590886 563121 691362 621201 523089 486239 496524 657406 630783 431748 495003 585028 445773 512537 463898 425759 525971 467148 473595 417382 526868 613712 433710 224873 189775 151364 171278 184121 159852 178735 212171 282765 143498 122702 146034 N-acetylserine 5682354 6391481 5441151 5763576 5905576 5327605 4528465 4375223 4976339 4957319 5640742 5949940 6487859 6116788 5126596 4130552 6199851 7051531 5852982 6850957 5806009 6665941 5979443 7368858 7382142 6850166 8256315 7572622 6943268 7748494 6420557 6664037 7377524 7586746 6976838 7879950 7483671 7095310 5535131 4794748 5148559 4952836 4614585 5007806 4956522 5435109 5949931 4246006 4792706 4868728 5529111 4990772 N-delta-acetylornithine 5261531 9268212 7521520 9947940 8577293 473310 864810 442871 638260 454269 2082235 1794323 2146973 2651615 1580271 1219184 1848480 2456620 1898422 1743455 1945600 2238506 1809380 1630039 8862359 10820638 12815224 16108239 11031812 18901768 7922478 13328426 15435772 18588040 18172428 15164377 15158130 10939534 5433766 7406502 9241723 9452254 6141943 9119135 13418746 7751539 10685692 5478767 8446528 9074751 9195275 10778290 N-methyl-GABA 1339699 547201 966355 1547493 1925119 1569273 1155270 1632990 2127183 2280512 2242779 7580017 10150785 10491184 7413693 8614282 7320368 10380334 6794270 8551837 10294817 8833892 7396882 9032494 10093190 6177965 8584492 7628628 3824132 5058734 5856768 6529645 7351750 5204847 8338458 6149619 8348272 10727352 6476383 N-methylalanine 3364722 5512197 3735299 3554485 2313165 1532235 2984874 2009492 2236375 2398196 1704242 1366211 1650107 2571698 1555463 489149 2400918 1331625 650949 2470080 2221712 962659 2600089 2204388 613062 162711 1342356 926776 1008480 1657101 667397 460019 955599 1203879 473590 2045997 968511 1101146 1441500 1355287 391699 888483 1785508 897957 1069425 1545522 1205321 N-monomethylarginine 1159664 1595906 803382 2518583 1691916 930513 1356546 589563 848085 782255 1228579 1764148 1127887 1699342 1171344 1349517 1480520 1957469 1624222 1343450 1540122 2161304 1693652 1974991 3872492 4666218 5565704 4493336 4087489 4384889 3531391 3787614 3482177 4853661 4285374 3805052 4884712 4170567 5116799 4468322 3274233 3143786 2806905 4243587 5308948 3123948 4177882 4545561 3703151 4601485 4237422 4680880 N-trimethyl 5-aminovalerate 8164807 8804932 6992023 10556388 5724887 12707642 15378618 11949626 13004207 13178843 6873275 8189694 8117849 8801223 6440742 8125357 9787759 9590791 7932876 11072712 12729662 10901780 12249092 12377071 9625515 11363708 14898623 13413047 13314055 10434242 9265031 10432107 11262555 12239886 13187214 11572811 13624652 12483222 32321998 30434214 54787504 41275832 25138614 29459944 74863168 20788802 49133552 21202140 21139336 17680966 53803516 18989880 N1-Methyl-4-pyridone-3-carboxamide 146271 305922 205804 227047 295162 30268 8748822 9405394 3696278 7230335 16722 40447 18768 6150176 5538267 239501 5075912 594755 4493598 59647 128103 77694 67490 74219 288914 148433 N1-methyladenosine 2545463 4053895 2681712 4025543 3215191 2674858 2665742 1832735 2379094 2763386 2191079 2304928 2354274 2009806 1539128 2042205 2804994 2860432 2427306 2299211 2549113 3033322 2875531 3536077 3004664 3441987 4108867 2932284 3770375 3748548 3228078 3041657 3412970 4106034 3268979 3101476 3644453 3589876 2256342 2191151 2334608 2200681 1407825 2219740 2903039 1546738 1767504 2836245 2186187 2978691 2708956 2429794 N1-methylinosine 398715 623066 469802 717769 553466 316893 423358 253273 300747 285604 185679 231567 155848 312110 136160 133033 211453 193730 171326 137419 191121 236349 162166 210483 86630 90433 103827 76293 118838 72503 81458 N2,N2-dimethylguanosine 707834 860833 830325 1094773 1055216 382843 412092 305628 367132 383820 230982 293218 261112 246493 171097 219871 282215 240561 266558 330561 283247 250161 321044 357555 198707 264750 374617 295198 332177 267161 215076 258278 193723 275802 256889 240544 292813 294573 150565 149214 109536 148875 100152 153780 154227 80135 110412 172653 122566 194169 135562 N4-acetylcytidine 867393 1008981 600820 935605 618218 196507 202004 97460 157695 193418 203019 298117 237119 196164 208695 101006 111542 117345 N6,N6,N6-trimethyllysine 15364044 23302370 15904794 29329050 15992647 13915358 12586906 11346742 9770827 12060189 8902664 11869711 9924122 10089432 6586174 8090736 12134020 13403062 11047408 11718847 13716017 13730563 18882896 15310790 11895813 10971882 15916765 13548488 15985472 13134167 10669333 11366559 13424438 17672322 15212580 13342207 14274528 14553230 15343990 9162390 8127829 6979809 12263651 16834588 18248996 10925868 14649832 8056521 14914482 11094609 9141287 10227957 N6-carboxymethyllysine 80192 188151 131406 258148 70487 223254 303855 556143 380471 448217 345938 205328 361792 344528 511740 320807 237191 310618 369601 521086 482118 424458 381587 410965 453048 623923 376549 591532 487729 399071 572768 517521 720074 N6-methyladenosine 65912 125520 101143 92488 72046 109256 135418 87797 79855 92103 108482 120191 267261 265917 272719 256045 339960 214423 162005 268500 262883 340450 216717 220067 244643 296140 98221 101988 81653 92611 138482 145129 123811 112173 103546 109703 109952 138035 nicotinamide 183316368 231230864 195856704 240467968 229684320 243107808 284753504 218588640 252829344 246184512 364217568 397247872 320248928 385116416 339442848 340007488 367857792 405756160 348843936 295183296 309344576 395680992 396100352 438018656 516816672 479079328 552756032 460346784 492876224 456632064 480947968 429951808 474301088 507262880 426303040 508225088 556014784 547233024 444927456 436155168 362730112 344261184 330252064 430001408 404728128 356135520 384984352 464984576 390737792 485610272 455429888 400878208 nicotinamide riboside 639503 563937 641658 647284 760080 294067 189612 146286 333601 293499 221565 301930 236440 409510 460328 313737 232195 251545 292319 483854 404480 297897 479675 430533 429361 410453 320313 403916 295489 384512 278218 376277 414472 573216 353395 292850 517887 205891 259251 123373 353907 249752 230754 198194 736259 238901 342088 303446 305711 o-Tyrosine 519492 813719 589089 699308 503250 444726 346334 349045 407927 501215 285629 183241 190236 175159 250515 298303 302067 196494 301384 278935 354453 419466 461977 630269 436216 488600 627027 349055 318181 527037 627231 340031 524559 511101 478549 307215 315782 231042 228060 450742 263470 330080 336847 304906 336234 211502 389906 ophthalmate 3540786 4069320 3468993 4330596 4113707 978918 984754 1140068 949196 1668268 1772331 1664239 1802829 1887324 1056158 1336520 1161966 1721364 1639176 1293474 1469273 1789027 1709971 1620672 981017 674996 691243 810736 796046 852371 498531 684659 723809 1306926 878878 784515 680756 650794 375151 597571 525616 581451 594434 518592 737522 912513 995078 548987 661886 713712 569866 646693 ornithine 15626785 22117108 17572600 25444848 14184770 23786072 21312284 17639702 16806072 22056558 12075397 18963532 14992241 16852088 12605140 16057977 17898928 17432736 16812070 16558794 17069860 19250364 19184094 18587790 24143372 24379912 34643504 24968192 31786956 25638652 19957738 25499124 25344404 35164820 25407492 27411010 27779980 27885290 15510364 14363227 12743699 12706664 11522503 15012844 15351313 13045440 16108120 15108665 14656479 15826206 14495685 18996446 pantothenate 284950336 345493472 300437088 372725024 336401120 177581872 195623968 164756336 157686768 197365904 118376848 131354504 114100768 117334488 82474256 107798336 142941712 151843888 115806344 154333184 150681968 161582912 174239280 159494800 110934992 94466800 110483104 114606136 133010944 103414072 89883280 83228912 113622104 109294528 111894992 108284512 119305968 109412000 102186784 103257544 96746520 85206648 88703120 105061144 130505176 96355864 108143312 102506216 113397176 134225344 93120296 132187192 phenylalanine 231102816 268820832 224328736 279307328 197179968 203624544 206188304 168604816 169582848 180800704 202745792 242712672 199664496 227423744 163464288 217535392 232827280 271604096 226592464 241667520 228053328 241328064 266415008 290605888 324785664 287171648 346895904 316591744 384386368 321602656 281094304 301319264 343731424 393322816 312500064 309153824 349412608 327901568 267828592 244829840 239209136 192700624 207089152 249249264 298567008 204572448 246429296 261950368 242750544 267242576 241370784 283062144 pipecolate 50751176 92601504 69694624 89902480 98826800 11516927 19644738 11992715 14212949 14461313 8517954 11301234 11559044 15985948 7549212 8761134 13253465 12433872 10071436 12635079 13163390 14976679 15630316 18877780 7549732 7049874 9002808 7291723 9531623 7224970 5767595 7600023 7433407 9859894 7311305 7752854 8362495 7373839 6610542 4808337 5317092 5304000 5615908 7092611 6146463 5107008 5646064 7106339 5669167 5843287 6401313 5239781 proline 602071296 668264448 639666496 806624448 647561024 568646528 587050240 445184416 517550976 551668736 422800192 475871104 431505536 468387968 365962528 425654048 515290848 550977408 450109056 441974112 445470688 542834112 515564672 511189696 588633984 510796864 611580608 545682112 602163584 487439008 493899904 476539200 564327040 613225408 478641216 560428864 602454016 564027968 422990688 399399296 381851904 328432448 354621184 419226016 453349792 318199424 388107424 398106880 397878816 429393440 412813760 404502560 prolylalanine 1187075 1649152 822292 1726003 1114571 2140073 2158245 1783010 1563062 1695757 1445577 1523085 1451711 1798526 1296026 1869213 2498277 2089813 2208628 1668181 2199850 1988830 2588812 2550722 2063111 1883350 2869883 2449365 3273329 2131214 1989576 2923113 2839784 2762696 2589673 1972459 2429774 2653805 1320530 1279159 1217649 882840 1061289 1477087 1829303 1179621 1594473 1811000 1477468 1584654 1416869 1481525 prolylglutamate 1842393 2502377 2029913 2884600 2291544 2644897 2589653 2242919 2302551 2482067 2187611 2730632 2214628 2688694 1711221 2032290 2502570 3019379 2658040 2590712 2244871 3064710 2971229 3683202 3552803 3591506 4875646 3528673 4560381 3633640 3254931 3658048 3969738 5009281 3568038 3761967 4467732 4086292 2287332 2120091 2091435 1713181 1965247 2134073 2673385 1656214 2313259 2515573 2224840 2473864 2079771 2669497 prolylglycine 1646876 2481940 1485267 3215229 1871253 3698397 3876507 2795553 2604543 3984289 3412185 3827388 3478227 3966265 2573701 3669638 5233092 5057531 3908133 4505764 3725022 4127152 4317016 6489719 4880322 4636310 6381930 4311242 8339371 5017360 4784384 5071011 5841948 6839293 4976273 4289570 6342403 6163641 2629597 2785459 2227765 2108712 2040939 2831261 3745031 2031847 3014052 3232748 2862836 3349183 2700488 3322225 prolylproline 2124989 3161043 1839050 3079666 2413222 2903054 2550716 1997666 1960142 2052827 2563943 3315088 2634155 3654004 2056429 3087232 4106839 3966406 3509624 3549817 4351723 4997444 5267402 3862614 3688342 3493410 5227710 5227052 4774478 4013339 2967326 3580994 4366257 4967426 3859648 5268068 4048784 4157022 2345776 2936166 2144932 1771540 1457170 2054148 2599010 1261573 2687813 2394478 1879713 2770821 2144756 2882620 propionylcarnitine (C3) 2545013 5598706 2817572 3434204 2556559 5174310 6591867 5963721 7202790 8453792 4861728 5798625 7110300 6163420 5323044 3698573 6127110 6205246 5086890 6361151 4281620 5953844 5044556 4722710 6115915 5792958 7314725 7531620 5834152 6862583 4535223 5159641 6242033 7595286 5243543 5275727 5583735 6041176 4013193 4771002 4425419 7724080 3058216 3733332 3180828 3363350 4472771 4704608 4486450 4286686 4359313 4658660 pseudouridine 3616061 4956005 4140886 5953582 4285171 2206059 2783188 2041210 2149900 2173522 1896356 1954529 1870725 2227673 1689740 2092481 2308819 2323339 1736797 2041079 2036136 2121504 2253250 2422845 2019780 1674735 2235398 1910023 2059729 1805116 1643770 1752606 2126510 1999772 1882464 1832199 1983179 1951596 1449687 1065434 1104139 1210562 863540 1455716 1423308 1037060 1156153 1441480 1221856 1242153 1445297 1229330 putrescine 10233700 11583586 10197497 13834127 14353730 7668516 8541624 6318851 7122325 8017045 1572550 1949657 1351203 1974473 1447907 1840591 1568712 1972414 1818519 1499941 1414370 1723073 1908917 1780612 1373155 1685527 1656903 1538725 1799139 1490826 1497969 1898727 1524043 1751210 1579315 1781259 1517570 1903756 925282 771733 541045 735795 496708 758671 772986 577598 502839 916273 609513 656478 625362 711583 pyridoxal 1609095 2322135 1590938 2194875 1903729 3198806 2857743 2320399 2609833 2433166 3455743 3908320 3189201 4372259 2481214 4777607 5064100 5186541 4267298 5847275 5297886 5823530 5409116 5845707 7385673 7480154 9354118 7820783 8616093 7164407 6590371 7044979 8285797 10534151 6494341 7786407 8604117 8511919 6266106 5457787 5740378 5053352 4732582 5694429 8790445 4595181 6619286 6034150 6393625 7441915 6159491 7346486 pyridoxamine 182456 418732 249012 290260 259188 486276 368767 429153 372827 455686 550433 583311 464553 667208 437157 824248 591411 715158 538324 846688 617313 811631 745458 687114 1005709 1003191 1186885 1055267 1115103 683809 870110 962570 975823 1163451 767375 873862 1225828 871936 923103 1025633 933196 884026 902215 824717 1194638 965787 967063 916492 911902 1033791 975292 1181527 pyridoxamine phosphate 97391 92782 90335 174126 128204 255664 234192 179036 154672 705135 748206 486682 678659 461760 937052 886006 811035 636676 689964 827780 919591 828826 985400 1847124 1963220 2200831 1703348 1860553 1519466 1759122 1684791 1847475 1972209 1660830 1761478 2048130 1977759 2027463 1927485 1702312 1455509 1537906 2112237 2022431 1570660 1771738 2253737 1976007 2382169 2123019 1873426 pyroglutamine 1410664 1350525 1203332 1581523 1196351 2436152 1942398 1873604 2045281 1957870 11101018 13329076 9883942 12806845 13347758 13895403 12317224 12556056 12870465 12593087 11812745 12199107 12575915 13234654 34571408 33855180 36047392 32692912 37027024 34023880 31767974 32048630 38504724 38149896 33020480 33053592 34508508 35182108 36729952 33743340 32420564 31018898 31821070 33602568 38775880 34529208 36254272 34148568 38684792 36152464 37982988 43785200 S-1-pyrroline-5-carboxylate 282590 204598 255244 331645 83815 350670 453736 607980 380802 317714 408425 390055 312850 565199 451651 518747 347712 456012 509900 684357 911379 721581 922076 856533 610596 749819 935873 1151960 994674 803875 735903 904805 197059 252147 199395 270425 123090 247129 S-adenosylmethionine (SAM) 2460944 3358968 2664353 3862414 3436678 2690044 2828894 2389470 2267284 2589558 2343412 2816472 2377267 2734158 2017372 2800380 3238854 3125021 2700699 2650720 2614239 3236573 3344458 3592067 2941136 2454163 3808745 2648135 3099947 2863995 2443978 2452571 2808117 3351367 2622396 2750785 3101304 2822273 1701801 1778166 1554164 1477989 1448942 1899054 2284837 1523539 1796511 1961249 2057348 2292278 1881884 2191434 S-lactoylglutathione 1262017 1342679 463711 2103628 568320 15601992 2720833 2820393 1699605 3013498 4655013 2881550 2189040 2547835 4103429 3006806 3917658 4219953 4533056 3202575 4960507 5558987 3813269 2784192 5711208 2779885 5384020 5823910 3563483 4568452 3904519 3504570 3924744 5226925 7962589 2440177 4285878 5208705 4475903 5792342 5068960 6317371 S-methylcysteine 1196475 1712918 1230490 1846948 1313200 705392 660532 607239 653049 777704 854766 999851 856773 1037042 810746 1205456 805349 1042789 910294 1159586 1066169 994897 1160841 1203552 468394 396800 476656 497659 518948 440923 405903 445179 520273 680035 460006 395116 562999 464530 767825 880549 862462 684431 616658 1034427 1282202 760129 899165 869390 864485 1068540 1053417 985916 S-methylglutathione 478473 543318 500548 683236 593757 318195 313297 151678 254351 250355 126903 191542 164916 232242 170566 204083 154196 224768 262754 296468 181487 231495 191592 247634 260196 268534 446816 333598 289635 293559 277752 279873 300995 374063 345210 313487 339041 381573 220106 269195 110591 159869 218994 289506 162502 242183 293831 222390 246769 205073 293909 saccharopine 1232148 1091328 1600854 2121252 1522169 721589 1832238 2131191 2373189 1944443 930375 1266612 5280332 4333071 4730182 4888303 5940841 5304657 4013959 4273682 7433348 6384135 2197042 2745825 4770625 4021331 3108286 2725425 2663125 2486841 1740782 2669296 4265806 3010834 2779018 3815972 3763641 3867310 3394732 4229477 serine 192640832 251860656 196418992 263113904 178929216 156198240 153540288 123128256 125100232 160095904 151498704 179075232 165471312 169179072 132868384 162297312 185438432 187385824 184399680 179249232 168728720 183194960 202203168 205779184 209094832 197066560 233492656 216954112 241540848 206503008 184412992 185064272 214468752 242512720 203107504 195675936 219476320 219970992 200863152 162911632 168685888 155794560 145908176 178946560 194532784 144496224 165301520 193217360 193906688 174874112 182103024 199843824 serylglutamate 355311 556574 357770 634023 515250 575664 578500 359849 411309 462521 387302 328683 282089 515517 341586 500716 656947 600826 491370 660757 663156 573813 673433 640394 585836 586489 676795 625730 755258 539197 609256 630472 726926 620442 582417 691510 581196 651980 450263 462522 231326 295590 341326 536853 629016 368345 464424 522395 688169 539430 427045 417209 serylserine 90293 77721 70255 66788 92281 112790 59455 101918 124273 136961 91447 162188 105250 101236 66068 65886 87342 144976 93260 57167 90012 62815 93660 67178 117008 75696 spermidine 183237232 259557808 177462752 300852832 230079920 238186128 271818720 181618288 205956608 240810928 113455328 155453952 100166064 149381920 93878680 131834408 159673808 196287904 131283048 155585680 155747776 195578912 206078240 221939456 223142192 195793376 280416032 219379600 268566464 219092400 178539424 168950384 226946848 265401824 198720816 217490064 251376064 244359536 77190384 67861176 60989472 71775664 58577588 105642464 139925152 87047408 107342104 100560464 104895280 122781344 90991216 133528720 stachydrine 11082776 19124632 13744648 20985936 11645700 1525322 2225581 890328 1275744 1411140 1937422 2379251 2248580 2080931 2308039 2049393 2747979 2325917 2568285 2858459 2929087 3051676 3447130 4085021 10382840 10304889 14837673 13148554 14484295 13325571 8847399 12091971 12958304 14356737 14722826 10567026 13443804 11658176 5208940 4930432 4653817 5102301 4329237 5287091 8132394 3804898 6089359 5354883 6608821 4086523 4687209 5760443 succinate 560823 569042 451558 602647 511495 547849 563593 354279 582910 556716 333309 372301 600630 487485 420053 200122 393143 412306 414213 382774 237263 325275 440309 612424 135770 136536 286598 192337 158111 197974 154410 116579 151063 221166 111529 235891 215474 287434 76886 82971 183564 81422 128982 146709 99218 succinylcarnitine (C4-DC) 611838 729918 639617 854933 672894 965128 1033316 922480 915150 1039976 866067 843784 693806 855598 650356 678588 1026645 930427 866268 934698 1024848 1116317 968111 1210507 875111 787096 1319515 991887 900553 983725 809637 1018650 864983 1071088 865954 780561 1096748 1128612 566766 448664 441426 422462 546696 583729 617052 452826 650845 597702 656269 758312 570360 798626 taurine 1132795264 1248183424 1101046400 1344639360 1104610816 1089418624 1052223872 943264832 923024640 1085838720 843634304 966025920 876780288 905882816 795248640 938686656 975415872 971137216 977600128 1028003776 999812800 1032520384 1066908928 1084343552 984414080 965196928 1044569280 1068407296 1114293248 1009188736 930962432 918154176 981545536 1040410432 993819072 936175616 1010872192 981067968 754605248 720016064 716438848 703639488 681379968 803926784 820172992 675119936 708464256 800995328 802550400 803670784 765143488 784812800 taurocyamine 348158 651176 374247 551637 822313 692908 947333 863863 973171 1013637 774707 879812 1164883 1263072 1303834 1105700 1407032 1118103 989361 1461693 991021 1135136 1032284 811884 906528 1117023 1055835 1264860 698551 860687 984226 98628 thiamin (Vitamin B1) 238539 418985 195025 480711 241552 238776 291660 182268 232858 346377 298355 485938 194615 377314 208593 606521 468404 448522 469648 658892 738649 747839 801435 743720 1204510 872644 1424186 1222485 1484677 1021059 891410 1195092 1342876 1476708 1103450 1066469 1414639 1094200 695289 593942 730364 466126 441478 752680 985581 493073 598384 875939 823273 676266 781014 872002 thiamin monophosphate 583287 739411 631729 1143546 671115 679761 871180 564715 649093 774700 1850659 2148533 1966437 2052473 1413260 1640365 2186162 2469548 2289531 2064571 2313825 2069770 2092986 2491858 3295886 2976866 3582815 3522430 3916160 3610087 3137677 3106334 3701365 4318042 3352083 3459351 3811098 3353424 2352221 2424967 2422371 2198221 2272070 2905743 2985445 2117130 2300638 2730629 2630084 3235497 2737691 3042533 thioproline 118751 142133 179503 93702 97284 154637 149001 2882131 331258 360260 240826 416542 1156688 450555 314382 265678 1575472 1357805 2594832 1615066 2157270 1817490 1595970 1742600 1972685 2229926 1657404 2127613 1648333 1887252 3511930 7042197 2930983 1986908 3331643 3088205 6189200 1978769 3757144 4307546 3980521 6093023 4197410 6497367 threonine 253221984 327068864 239978160 374504256 215979488 257003488 269410144 209700992 205935312 267290416 186253680 248303040 201313584 229271456 173305760 226663744 249088432 256582528 251937088 254744256 241227600 234629472 279543488 285508416 304719264 289869248 324642880 333281024 355556224 293375296 257272128 270163904 313852064 327646880 284662560 311277792 305372992 301028288 283572224 238622656 212690080 202616352 204852512 303624640 310704448 221300064 268199376 234730016 264151808 255785408 257909184 275455680 threonylisoleucine 404411 514575 333187 489160 431593 415858 467576 547637 499084 548441 502327 635789 609376 704152 2210116 2173943 2888745 2041430 2505295 1770401 1846337 1797264 2068615 2554454 1811029 1814732 2148957 2196711 3939678 3760125 3717100 2900899 2632660 4091439 4418220 2675087 3710958 4060943 4000867 4471459 3741591 4553122 trans-4-hydroxyproline 401107104 397861632 379004704 417271872 417560064 332821184 365252320 355152544 379760736 352897344 205588240 202375120 235385312 225366560 191908256 230815776 236214304 247182624 205945776 248069840 239602672 269030112 248308992 275438624 104859472 96343984 106339880 100812704 114965840 96167112 89605608 98478400 104088600 100863672 107693312 99863720 107930304 92781256 88160816 75765872 80338632 57892768 73792088 86406008 85200320 63506332 72081024 80154904 82897944 83976880 84394672 92498896 trigonelline (N'-methylnicotinate) 14425964 26867110 13671136 25773192 22363020 5611754 7050422 4990675 5139269 5601561 3923120 4952447 4028578 5214747 3783181 4610572 4786458 5100135 4424385 6464312 6773846 6172576 7430569 7826902 29786878 23247828 39803408 34582044 35660516 33615408 24387752 33022440 32717620 38719252 35769728 29543616 30685756 31597100 14480206 12041803 12135905 11107261 10048310 14703354 16387980 10480617 12261224 14295799 18978446 11864907 16394259 17241634 trimethylamine N-oxide 792161 1234414 779803 950703 162672 642278 900741 694662 857994 359429 854005 555563 833037 378768 754362 568045 784186 968992 594874 830450 542753 1212627 1089057 1433275 1576968 1649850 1393665 1183931 1407646 1698707 2003507 1735292 1525471 1324479 974196 912999 712110 726120 811005 973141 1197591 435738 811303 666241 1051746 733375 409317 1070001 tryptophan 92850552 126012784 115944320 165624640 63969440 63434784 65340832 51609912 53689816 62229884 55912464 62162508 53285432 66505224 40628672 60135692 68306104 77840736 62868236 64530428 65471932 71074640 73890584 77831088 81826392 76409880 88560952 78900760 92540648 77904296 70958432 72071376 75158184 92384144 74044136 77539104 94889832 81363528 66353992 65047688 57408664 48895124 54919480 65954724 74901560 52449716 64021024 68107488 65003512 68881664 65910896 74904240 tyrosine 108992760 138199904 111365448 151044864 134707648 135348832 150006656 115258568 137014080 121592032 121506712 120368240 122783152 123778512 98541384 109720480 134749392 148087632 118041608 135401408 132707168 155938368 156817216 157141136 141652816 133882640 192321840 181578144 151030624 188610048 145585856 144611936 156726672 168001984 163883440 170222048 191248992 177272272 107616424 132173792 120545960 109921104 92632992 131265392 172672704 120004992 132276760 118058576 129222136 139636368 120648776 118077376 urea 92537216 94950360 71055360 115668496 79288024 36510648 44646376 27978936 28397578 40799440 32080056 42882968 34884904 50159360 26196456 33465762 36733568 38424044 40835296 32433568 41209416 33767420 43059064 40323088 47824232 48540684 45764528 46272544 54982012 51179560 43112888 43534720 51203068 52643964 50363824 56146592 47786416 51088284 41879916 34156388 39463616 34588444 32238802 43807480 41651692 36554672 41516912 52270556 50341500 44244664 45583436 49615564 uridine 5'-monophosphate (UMP) 19579530 19621692 17709424 27966912 20599578 13173195 15004273 13895686 13692831 17289076 3083869 2304877 3516614 3147733 1824393 2083870 4380426 2521253 3678879 1962742 3661749 1825952 5339880 5191942 175099 70944 168990 198647 231594 226342 95729 199771 271223 400084 260226 218876 251291 350413 valine 110564128 141742064 107943312 175313344 104126840 96123520 99379904 76488816 70533768 99707576 77169560 95352656 66214728 77267104 57106824 81841656 93710504 95969944 80215264 94100488 91606696 100699376 112581432 114105032 145783552 127572544 153996416 138782880 163330128 128727176 112343432 126112592 157766400 167728864 132167528 136174848 146171312 134257664 95958744 87348856 84028064 75168928 73208688 91721680 97510424 66815108 90139104 96903040 91867128 97797344 91820728 105264248 xanthine 24812582 36132028 24370080 36767808 29377368 35780624 34489936 26472380 27231912 30662292 82639640 108073664 72562960 83302144 77924024 95339448 87027240 104339224 87123888 103983264 86647968 116089232 89450112 98965480 200042048 175376384 216019088 197653040 207719984 173931056 168683360 179535952 195925344 213893184 178499440 183583296 221386144 194990912 154004032 142008672 140236288 129322864 128457272 153937824 159540048 125564696 142654960 154306608 153292400 158850928 157412176 163315712 MS_METABOLITE_DATA_END #METABOLITES METABOLITES_START metabolite_name RI MASS CAS PUBCHEM CHEMSPIDER KEGG HMDB_ID (N(1) + N(8))-acetylspermidine 3080 188.17574 1-methyl-4-imidazoleacetate 2064 141.06586 2625-49-2 75810 68319 C05828 HMDB02820 1-methylguanidine 2149 74.07127 22661-87-6 10111 28576 C02294 HMDB01522 1-methylhistidine 2755 170.09241 332-80-9 92105 83153 C01152 HMDB00001 1-methylnicotinamide 1940 137.07094 1005-24-9 10129985 8305504 C02918 HMDB00699 1-ribosyl-imidazoleacetate 2006 259.09247 29605-99-0 5117448 4292299 C05131 HMDB02331 2'-deoxycytidine 2193 228.09789 951-77-9 13711 13117 C00881 HMDB00014 2'-deoxycytidine 5'-monophosphate 975 308.06422 1032-65-1 13945 5414501 C00239 HMDB01202 2'-O-methylcytidine 2411 258.10845 2140-72-9 150971 133067 2-aminoheptanoate 3160 146.11756 1115-90-8 227939 198338 2-methylbutyrylcarnitine (C5) 3035 246.16999 31023-25-3 6426901 4932320 HMDB00378 2-methylserine 1652 120.06552 94309 85112 C02115 2-oxoarginine 1760 174.08732 10/4/15 558 542 C03771 HMDB04225 3-aminoisobutyrate 2190 104.07061 10569-72-9;214139-20-5 64956 58481 C05145 HMDB03911 3-hydroxybutyrylcarnitine (1) 2400 248.14925 53481617 HMDB13127 3-hydroxybutyrylcarnitine (2) 2340 248.14925 HMDB13127 3-hydroxyindolin-2-one 2035 132.0444 61-71-2 6097 5872 C11130 3-methoxytyrosine 2555 212.09174 300-48-1 1670 8948 HMDB01434 3-methylcytidine 2176 258.10845 21028-20-6 159649 9164190 3-methylhistidine 2670 170.09241 368-16-1 64969 58494 C01152 HMDB00479 3-ureidopropionate 875 133.06077 462-88-4 111 109 C02642 HMDB00026 4-guanidinobutanoate 2320 146.09241 463-003;463-00-3 500 486 C01035 HMDB03464 4-imidazoleacetate 2055 127.05021 645-65-8 96215 86856 C02835 HMDB02024 5-(galactosylhydroxy)-L-lysine 2755 325.16055 32448-36-5 5-aminovalerate 2220 118.08626 660-88-8 138 135 C00431 HMDB03355 5-methyl-2'-deoxycytidine 2303 242.11354 838-07-3 440055 389065 C03592 HMDB02224 5-methylcytidine 2227 258.10845 2140-61-6 92918 83877 HMDB00982 5-methylthioadenosine (MTA) 2752 298.09684 2457-80-9 439176 388321 C00170 HMDB01173 7-methylguanine 2175 166.07234 578-76-7 11361 10883 C02242 HMDB00897 acetylcarnitine (C2) 2282 204.12304 5080-50-2 1 5406074 C02571 HMDB00201 acetylcholine 2220 146.11756 60-32-1 C01996 HMDB00895 adenine 2221 136.06178 73-24-5 190 185 C00147 HMDB00034 adenosine 2169 268.10404 58-61-7 60961 54923 C00212 HMDB00050 adenosine 5'-monophosphate (AMP) 1013 348.07037 149022-20-8 6083 10239183 C00020 HMDB00045 AICA ribonucleotide 797 339.07013 3031-94-5 65110 195 C04677 HMDB01517 alanine 1700 90.05496 56-41-7 5950 5735 C00041 HMDB00161 alanylglycine 1997 147.07642 687-69-4 79094 71426 HMDB06899 alanylserine 1885 177.08699 3062-19-9 96821 87421 HMDB28696 argininate 2150 176.10297 157-07-3 160437 140984 HMDB03148 arginine 2825 175.11896 1119-34-2 232 227 C00062 HMDB00517 argininosuccinate 2745 291.12992 156637-58-0 828 805 C03406 HMDB00052 asparagine 1225 133.06077 70-47-3 6267 6031 C00152 HMDB00168 asparaginylalanine 2067 204.09789 16568254 HMDB28724 asparaginylglutamate 1981 262.10337 20917-58-2 16568259 aspartate 1165 134.04479 56-84-8 5960 5745 C00049 HMDB00191 aspartylaspartate 1815 249.07173 58471-53-7 332965 295009 aspartylglycine 1828 191.06625 3790-51-0 302429;5247119 267283 betaine 1064 118.08626 107-43-7 247 24,219,951,173 C00719 HMDB00043 betaine aldehyde 1915 120.10191 7758-31-8 249 244 C00576 HMDB01252 betonicine 1012 160.09682 515-25-3 164642 144333 C08269 HMDB29412 butyrylcarnitine (C4) 2860 232.15434 25576-40-3 439829 184820 C02862 HMDB02013 carboxyethyl-GABA 2085 176.09174 3/2/86 2572 2474 HMDB02201 carnitine 1978 162.11247 461-05-2 10917 10455 C00318 HMDB00062 carnosine 2942 227.11387 305-84-0 439224 388363 C00386 HMDB00033 choline 1961 104.10699 67-48-1 305 149278 C00114 HMDB00097 choline phosphate 700 184.07332 72556-74-2 1014 119298 C00588 HMDB01565 citrulline 1520 176.10297 372-75-8 9750 810 C00327 HMDB00904 creatine 1947 132.07676 57-00-1 586 566 C00300 HMDB00064 creatinine 2055 114.06619 60-27-5 588 568 C00791 HMDB00562 cystathionine 2270 223.07471 535-34-2 439258 811 C02291 HMDB00099 cysteine 1488 122.02703 52-90-4;56-89-3 5862 5653 C00097 HMDB00574 cysteine sulfinic acid 597 154.01686 207121-48-0 109 107 C00606 HMDB00996 cysteine-glutathione disulfide 2465 427.09519 13081-14-6 4247235 3455404 HMDB00656 cysteinylglycine 2132 179.0485 19246-18-5 439498 58762 C01419 HMDB00078 cysteinylglycine disulfide 2547 298.05259 70555-24-7 17215992 HMDB00709 cystine 2000 241.03113 56-89-3 67678 575 C00491 HMDB00192 cytidine 2124 244.0928 65-46-3 6175 5940 C00475 HMDB00089 cytidine 5'-monophosphate (5'-CMP) 835 324.05914 63-37-6 6131 5414497 C00055 HMDB00095 cytosine 2060 112.05054 71-30-7 597 577 C00380 HMDB00630 deoxycarnitine 2052 146.11756 6249-56-5 134 705 C01181 HMDB01161 dimethylarginine (SDMA + ADMA) 2850 203.15026 102783-24-4 123831 110375 C03626 HMDB01539 dimethylglycine 1104 104.07061 1118-68-9 673 653 C01026 HMDB00092 ergothioneine 850 230.09578 58511-63-0 3032311 2297320 C05570 HMDB03045 formiminoglutamate 1880 175.07134 816-90-0 439233 388370 C00439 HMDB00854 gamma-aminobutyrate (GABA) 2048 104.07061 56-12-2 119 116 C00334 HMDB00112 gamma-glutamyl-2-aminobutyrate 2380 233.1132 16869-42-4 21403151 gamma-glutamyl-alpha-lysine 2784 276.1554 65254 58747 gamma-glutamylglutamate 1775 277.10303 1116-22-9 92865 83831 C05282 HMDB11737 gamma-glutamylglutamine 1430 276.11902 10148-81-9 150914 133013 C05283 HMDB11738 gamma-glutamylglycine 1535 205.0819 1948-29-4 165527 145071 HMDB11667 gamma-glutamylhistidine 2740 285.11935 37460-15-4 7017195 5380197 gamma-glutamylleucine 2991 261.1445 2566-39-4 151023 133115 HMDB11171 gamma-glutamylmethionine 2640 279.10092 17663-87-5 7009567 5373147 HMDB29155 gamma-glutamylphenylalanine 2992 295.12885 7432-24-8 111299 99868 HMDB00594 gamma-glutamylthreonine 1750 249.10812 5652-48-2 76078708 21403107 HMDB29159 gamma-glutamylvaline 2700 247.12885 2746-34-1 7015683 HMDB11172 glutamate 1500 148.06044 56-86-0 611 591 C00025 HMDB00148 glutamate, gamma-methyl ester 2170 162.07609 1499-55-4;1499-55-4 68662 66546 HMDB61715 glutamine 1291 147.07642 56-85-9 5961 5746 C00064 HMDB00641 glutaminylglutamate 1997 276.11902 88830-90-4 16568299 glutarylcarnitine (C5-DC) 2393 276.14417 102636-82-8 71464488 21403175 HMDB13130 glutathione, oxidized (GSSG) 2667 613.15925 103239-24-3 65359 58835 C00127 HMDB03337 glutathione, reduced (GSH) 2000 308.09109 70-18-8 124886 111188 C00051 HMDB00125 glycerol 3-phosphate 580 173.02095 29849-82-9 754 734 C00093 HMDB00126 glycerophosphoethanolamine 659 216.06315 33049-08-0 123874 110410 C01233 HMDB00114 glycerophosphoglycerol 520 247.05773 439964 388990 C03274 glycerophosphoinositol 516 335.07378 16824-65-0 167572 glycerophosphorylcholine (GPC) 672 258.1101 28319-77-9 71920 571409 C00670 HMDB00086 glycerophosphoserine 577 260.05298 3081457 2339060 glycine 1375 76.03931 56-40-6 750 730 C00037 HMDB00123 glycylalanine 2143 147.07642 3695-73-6 98153 88624 glycylglycine 1881 133.06077 556-50-3 11163 10690 C02037 HMDB11733 glycylhistidine 2934 213.09822 2489-13-6 417360 369451 HMDB28843 guanidinoacetate 1937 118.06111 352-97-6 763 743 C00581 HMDB00128 guanine 2032 152.05669 73-40-5 764 744 C00242 HMDB00132 guanosine 5'- monophosphate (5'-GMP) 800 364.06528 12/9/50 6804 741 C00144 HMDB01397 hexanoylcarnitine (C6) 3308 260.18564 6920-35-0 6426853 4932273 HMDB00705 histidylglutamate 2961 285.11935 53634-28-9 9838731 8014451 HMDB28884 histidylglycine 2970 213.09822 2578-58-7 351662 312227 HMDB28885 homoarginine 2882 189.13461 156-86-5 9085 8732 C01924 HMDB00670 homocarnosine 2960 241.12952 3650-73-5 10243361 8418848 C00884 HMDB00745 homocitrulline 1908 190.11862 1190-49-4 65072 58582 C02427 HMDB00679 homostachydrine 1750 158.11756 1195-94-4 441447 390180 C08283 HMDB33433 hypotaurine 724 110.02703 300-84-5 107812 96959 C00519 HMDB00965 imidazole lactate 2040 157.06077 14403-45-3 440129 389128 C05568 HMDB02320 imidazole propionate 2263 141.06586 1074-59-5 70630 63798 HMDB02271 isobutyrylcarnitine (C4) 2810 232.15434 25518-49-4 168379 HMDB00736 isoleucine 2800 132.10191 73-32-5 6306 769 C00407 HMDB00172 isovalerylcarnitine (C5) 3085 246.16999 31023-24-2 6426851 4932271 HMDB00688 kynurenine 2739 209.09207 2922-83-0 161166 141580 C00328 HMDB00684 lanthionine 1730 209.05906 8/2/83 98504 88959 leucine 2864 132.10191 61-90-5 6106 5880 C00123 HMDB00687 leucylproline 2971 229.15467 87178-63-0 80817 21403172 HMDB11175 leucylserine 2643 219.13394 12/7/09 3621685 2856650 lysine 2850 147.11281 56-87-1 5962 5747 C00047 HMDB00182 malonylcarnitine 2086 248.11287 853728-01-5 22833583 21403153 HMDB02095 methionine 2526 150.05833 63-68-3 6137 5907 C00073 HMDB00696 methionine sulfoxide 1272 166.05325 3226-65-1 158980 139840 C02989 HMDB02005 methionylaspartate 2431 265.08527 14595-65-4 16354472 methyl glucopyranoside (alpha + beta) 832 212.11268 N-acetyl-1-methylhistidine 2100 212.1028 193270 N-acetyl-aspartyl-glutamate (NAAG) 1035 305.09795 3106-85-2 5255 5065 C12270 HMDB01067 N-acetylarginine 2245 217.12952 155-84-0 67427 60752 C02562 HMDB04620 N-acetylasparagine 785 175.07134 4033-40-3 99715 90090 HMDB06028 N-acetylcitrulline 1010 218.11354 33965-42-3 656979 571213 C15532 HMDB00856 N-acetylglucosamine/N-acetylgalactosamine 715 222.0972 24139 HMDB00215 N-acetylglucosaminylasparagine 1212 336.14015 2776-93-4 123826 21403014 C04540 HMDB00489 N-acetylglutamate 1050 190.071 8/3/17 70914 1266066 C00624 HMDB01138 N-acetylglutamine 845 189.08699 2490-97-3 182230 158492 C02716 HMDB06029 N-acetylhistidine 2065 198.08732 39145-52-3 75619 68142 C02997 HMDB32055 N-acetylkynurenine (2) 2364 251.10264 N-acetylmethionine sulfoxide 880 208.06381 108646-71-5 193368 167798 N-acetylneuraminate 660 310.11326 131-48-6 439197 10292217 C00270 HMDB00230 N-acetylputrescine 2230 131.11789 18233-70-0 122356 109095 C02714 HMDB02064 N-acetylserine 800 148.06044 97-14-3 65249 58744 HMDB02931 N-delta-acetylornithine 1877 175.10772 9920500 8096135 N-methyl-GABA 2109 118.08626 1119-48-8 70703 63869 C15987 N-methylalanine 1536 104.07061 600-21-5 5288725 4450824 C02721 HMDB01906 N-monomethylarginine 2845 189.13461 53308-83-1 132862 117259 C03884 HMDB29416 N-trimethyl 5-aminovalerate 2186 160.13321 34236878 N1-Methyl-4-pyridone-3-carboxamide 1260 153.06586 769-49-3 440810 389671 C05843 HMDB04194 N1-methyladenosine 2120 282.11969 15763-06-1 27476 4573813 C02494 HMDB03331 N1-methylinosine 1430 283.1037 20245-33-4 65095 513976 HMDB02721 N2,N2-dimethylguanosine 2210 312.13025 2140-67-2 92919 83878 HMDB04824 N4-acetylcytidine 1580 286.10337 3768-18-1 107461 96702 HMDB05923 N6,N6,N6-trimethyllysine 2825 189.15976 23284-33-5 440120 140379 C03793 HMDB01325 N6-carboxymethyllysine 2500 205.11829 4/3/46 123800 11217184 N6-methyladenosine 2264 282.11969 1867-73-8 1869 92307 HMDB04044 nicotinamide 1942 123.05529 98-92-0 936 911 C00153 HMDB01406 nicotinamide riboside 2040 255.09755 1341-23-7 439924 C03150 HMDB00855 o-Tyrosine 2772 182.08117 2370-61-8 91482 82607 HMDB06050 ophthalmate 2085 290.13467 495-27-2 7018721 7993181 HMDB05765 ornithine 2800 133.09716 3184-13-2 6262 6026 C00077 HMDB03374 pantothenate 1667 220.11795 137-08-6 6613 6361 C00864 HMDB00210 phenylalanine 2878 166.08626 63-91-2 6140 5910 C00079 HMDB00159 pipecolate 2200 130.08626 4043-87-2 849 826 C00408 HMDB00070 proline 1603 116.07061 147-85-3 145742 128566 C00148 HMDB00162 prolylalanine 2290 187.10772 6422-36-2 418041 370069 HMDB29010 prolylglutamate 2190 245.1132 67644-00-2 3563697 2801159 prolylglycine 2136 173.09207 2578-57-6 6426709 4932143 HMDB11178 prolylproline 2475 213.12337 20488-28-2 11622593 9797341 HMDB11180 propionylcarnitine (C3) 2590 218.13869 17298-37-2 107738 96904 C03017 HMDB00824 pseudouridine 800 245.07682 1445-07-4 15047 21403010 C02067 HMDB00767 putrescine 3027 89.10733 110-60-1 1045 13837702 C00134 HMDB01414 pyridoxal 2343 168.06552 65-22-5 1050 1021 C00250 HMDB01545 pyridoxamine 2975 169.09716 58052-48-5 1052 1023 C00534 HMDB01431 pyridoxamine phosphate 1932 249.06349 529-96-4 1053 1024 C00647 HMDB01555 pyroglutamine 1900 129.06586 2353-44-8 134508 118562 S-1-pyrroline-5-carboxylate 1528 114.05496 2906-39-0 1196 10140206 C04322 HMDB01301 S-adenosylmethionine (SAM) 3002 399.14452 24346-00-7;86867-01-8;86867-0108 34756 C00019 HMDB01185 S-lactoylglutathione 2124 380.11222 54398-03-7 440018 1053 C03451 HMDB01066 S-methylcysteine 1955 119.01613 1187-84-4 24417 22826 HMDB02108 S-methylglutathione 2200 322.10674 2922-56-7 3605667 2841309 C11347 saccharopine 2530 277.13942 997-68-2 160556 141086 C00449 HMDB00279 serine 1239 106.04987 56-45-1 5951 5736 C00065 HMDB00187 serylglutamate 2022 235.09247 6403-16-3 3613616 2848904 serylserine 1762 193.0819 6620-95-7 138784 122389 spermidine 3355 146.16518 124-20-9 1102 1071 C00315 HMDB01257 stachydrine 1440 144.10191 4136-37-2 115244 103115 C10172 HMDB04827 succinate 1150 101.02333 110-15-6 1110 1078 C00042 HMDB00254 succinylcarnitine (C4-DC) 2291 262.12852 256928-74-2 71464481 28639166 HMDB61717 taurine 660 126.02195 107-35-7 1123 1091 C00245 HMDB00251 taurocyamine 710 168.04374 543-18-0 68340 61635 C01959 HMDB03584 thiamin (Vitamin B1) 3050 265.11176 59-43-8 1130 C00378 HMDB00235 thiamin monophosphate 2378 345.07809 532-40-1 3382778 2627905 C01081 HMDB02666 thioproline 1250 134.02703 34592-47-4 93176 84120 threonine 1514 120.06552 72-19-5 6288 6051 C00188 HMDB00167 threonylisoleucine 2996 233.14959 16568391 trans-4-hydroxyproline 1064 132.06552 51-35-4 5810 5605 C01157 HMDB00725 trigonelline (N'-methylnicotinate) 1388 138.05496 535-83-1 5570 5369 C01004 HMDB00875 trimethylamine N-oxide 2100 76.07569 1184-78-7 1145 1113 C01104 HMDB00925 tryptophan 2986 205.09716 73-22-3 6305 6066 C00078 HMDB00929 tyrosine 2430 182.08117 60-18-4 6057 5833 C00082 HMDB00158 urea 700 121.07201 57-13-6 1176 1143 C00086 HMDB00294 uridine 5'-monophosphate (UMP) 590 325.04315 3387-36-8 6030 1399139 C00105 HMDB00288 valine 2479 118.08626 72-18-4 6287 6050 C00183 HMDB00883 xanthine 1032 153.04071 69-89-6 1188 1151 C00385 HMDB00292 METABOLITES_END #END