#METABOLOMICS WORKBENCH benbessieres_20210326_201352_mwtab.txt DATATRACK_ID:2544 STUDY_ID:ST001745 ANALYSIS_ID:AN002840 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 NEGATIVE MS:MS_COMMENTS A third aliquot was analyzed by RP/UPLC-MS/MS using basic negative-ion mode ESI MS:MS_COMMENTS in a separate dedicated C18 column. The basic extracts were gradient-eluted from MS:MS_COMMENTS the column using methanol (95%) and water (5%) with 6.5 mM ammonium bicarbonate MS:MS_COMMENTS at pH 8. #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 1,5-anhydroglucitol (1,5-AG) 830482 1111889 796184 1527624 1152411 1122829 1265361 1084294 936605 1479830 1698198 1801787 1359030 1527201 1723054 2226730 2195119 1981205 2455555 2157923 2141772 2115271 2745763 1930656 1454093 929898 1378712 1076505 1231610 1156255 1148476 982970 1356402 1192704 1491937 993709 1436316 843150 987832 968845 855424 1056478 639244 1169925 1513410 809695 1172793 896951 1000092 658234 846064 910122 1-arachidonylglycerol (20:4) 1156380 602744 1518558 1829627 1114124 1073183 858791 999575 329721 383462 427053 550772 484858 676482 1076947 772349 1034719 695554 4207625 773040 852651 830401 911580 1597187 687824 925479 714082 1082776 3010703 1169206 2200014 615376 1077022 1536953 1269271 3270167 1732407 1622455 1824959 1537195 1298671 2165461 1-docosahexaenoylglycerol (22:6) 61822 690245 384941 701191 439834 542368 400912 444269 532665 102211 411956 639454 366683 198087 200283 637228 249797 514115 241368 523649 388041 467209 293508 340870 484577 292547 640183 706826 401358 638602 336020 868017 280528 495321 478357 560353 516303 240744 559264 149807 140954 371021 525282 276134 192561 169965 285332 1-oleoylglycerol (18:1) 9848770 42860124 17608936 30971218 18436756 8962329 7870127 2641770 6353437 7618783 2961174 2118008 1843186 2459426 3289029 2394643 1397388 1131664 1278545 2505377 15500777 1668697 6470532 4320641 4001812 3847943 4374918 5608229 7580154 4161084 5319917 6356815 5003087 4390709 6191768 14996885 6361539 23319668 5220283 7389202 2184418 4325185 5805647 8355875 12487147 19830668 6802152 7932417 7906079 6044761 9982650 1-palmitoylglycerol (16:0) 22087032 122130864 40469512 60270884 36541620 35340816 41201176 18705216 73746984 34739384 16631228 17489900 31408038 28715566 75059816 14131315 57533536 213437056 14029985 23304376 19035716 15583641 33635348 49930324 18346456 18727076 21214836 29281052 37992964 49644376 20913592 18588770 23831130 38660188 20619992 66821880 24512216 30657954 26496782 20779812 20991736 19208576 14401040 16897560 40814164 25495276 21460908 66781272 22109760 27949654 24309740 65715464 12-HETE 400780 1124417 2380041 1271043 2916016 3092840 3183430 2903575 2910798 3815069 4974789 4412164 4997899 3409385 5210224 7542459 9176747 6595096 2974695 9391310 6769966 6834465 4503617 6035240 2886493 10855580 8557780 9982359 8079934 7301411 11253476 2989511 9212921 2777885 9218203 8897414 7042324 3855781 4036198 3582476 862789 2632078 1054048 3614419 2398933 3655616 3380168 3645734 1565778 3187907 2987258 13-HODE + 9-HODE 464843 1930456 1249972 2122511 1839920 2113878 2195287 1839281 1505372 2533573 1682213 2454322 1677129 2250414 1051591 842968 2587050 2233602 1262341 2118942 2129721 2930237 2447452 2911455 2539044 2789289 2347019 2716867 2770436 2358185 2125079 2727546 2475335 2417444 2165672 1769936 2736288 2598240 807935 1111882 732539 1256099 695052 1085631 580139 1270308 407070 729151 1340587 993609 1233108 562855 15-HETE 4280944 5708888 4178637 7928757 4079162 8727163 10003098 9226861 8728767 9246940 12283837 13440571 9379691 14948542 8896903 6431904 17243592 12421035 11674130 12674776 15065791 18962364 15790604 17359524 22710012 21916568 26995334 27203202 23529794 23382296 20089810 22096756 22355132 24676676 18999368 22847758 26833070 22875830 15416884 12929770 11016919 10803335 10528463 14429250 12381258 13896421 13011731 15417419 15567096 12654321 14296981 13080760 15-KETE 1442756 2121004 1309064 2199075 969297 2029031 2738514 3052279 2285039 2951167 2699378 3748781 3191603 3254811 2521943 672979 3035296 3202589 3316900 1959145 1765385 3176606 2521296 3281854 4228569 3665672 3645679 4099620 3552864 4039206 3281156 3571448 3549655 3837930 2732407 3623751 4819393 3320362 2802328 2103830 2402012 2370658 1932906 1900098 1973598 3639262 2237138 2326849 2347779 1765017 2392305 2129282 2'-deoxyinosine 189027 207464 191241 230109 202749 172018 164573 121424 142643 147520 101112 106399 99745 95383 91310 98645 99258 91189 91668 120133 94032 108398 142597 145972 141550 137248 193164 153628 202596 184193 134453 151135 153498 184183 140065 149053 190136 162268 142106 96504 105929 110252 80529 124436 135819 85320 115650 121954 120988 111342 104005 121130 2'-deoxyuridine 152330 319869 193676 216084 114604 461706 530281 481049 609380 490418 649157 655167 578440 719002 557958 632151 682717 671965 586863 561559 548773 678694 603327 736019 543849 688579 710767 497442 672808 630931 596886 580116 571720 584341 522259 619649 614260 580786 433865 339741 309915 285387 290854 404777 341125 236481 337085 396484 293726 371161 412260 371028 2-arachidonoylglycerol (20:4) 400904 719184 224274 500066 665954 386619 550300 395860 533165 399058 371820 602150 527418 600952 1118957 783095 481195 627257 754293 681875 740339 616525 888693 1632889 663381 564152 492411 873895 2314853 614408 1364740 415342 816068 1127554 824897 2313302 1238022 1288474 1206849 1516450 1089324 1597603 2-docosahexaenoylglycerol (22:6) 227812 223289 262637 225119 118220 237634 199388 216773 217903 191700 349402 93517 243739 224899 311440 177284 224047 315374 124547 362016 336120 175698 189179 197974 388158 117755 343852 259168 323759 173319 257731 70803 112862 122196 136654 133338 83766 92544 2-hydroxybehenate 611981 415681 469381 468169 486285 445599 354838 405512 416260 412522 666745 655389 524614 614184 596605 882690 756546 648138 592798 880058 862932 661099 718195 600402 2737052 1394166 1377565 1378559 2003814 1282151 1330008 1293508 2709512 1977299 2368243 1511507 1161084 1338484 3943699 1462745 1866550 977684 1291169 2381683 1489426 2648283 1739085 1801913 2361776 1745302 1675299 2135343 2-hydroxydecanoate 545673 557290 417098 599403 450567 382055 411724 437843 410681 437296 257081 400185 340411 397920 267463 97327 319571 368336 381907 345216 246414 362959 369914 407977 380031 273848 441482 307611 409263 428752 283835 368467 347086 475175 349981 381371 435527 392493 234618 184072 261118 194655 209912 206522 240510 173282 229511 194995 181391 189560 210447 2-hydroxyheptanoate 1965863 2112350 1733549 2221580 1544576 1762824 2049588 1695045 1406905 1872332 2278017 2736958 2546912 2280221 1835964 901838 2483890 2713653 2434358 2362429 1562073 2546621 2899123 2913564 1979543 1896360 2065636 2084032 1803825 1873350 1722627 1607815 1838056 1986147 1914961 1970510 1946446 1987093 1028989 875502 960874 1031983 835421 1036046 978389 978743 913970 944753 898737 983687 943094 874618 2-hydroxynervonate 82782 98118 1428255 576056 588805 644583 980819 493971 520337 566619 1137474 865190 1114761 622850 428425 647170 4583601 1212708 1755932 479669 805958 2082943 1048946 2616062 1369285 1880955 2318697 1560496 1402912 1777629 2-hydroxyoctanoate 156471 106769 220660 124746 73154 122559 118711 113171 54336 50463 79702 71988 89295 108970 161101 120874 141238 123283 93426 92535 173409 124103 112393 151512 123386 66900 70597 101281 83832 83039 2-hydroxypalmitate 6135859 8944515 7937122 10365582 6630075 8447311 7671192 7557453 6371439 10742272 6895399 8242253 9736084 9290904 6935032 5699521 7329680 10866485 11033077 9430787 6841671 8020463 5973167 8753698 8555100 5760693 5629535 5475768 7535735 7600865 5874866 6902645 7017736 7299262 6133889 5761086 6967338 6111312 8628220 4615970 6914359 4492236 5084965 6230059 4685317 7818357 5354408 4734705 5471578 5023610 4801750 5740947 2-methylcitrate/homocitrate 266822 277611 217588 294609 209372 586924 593160 485406 559555 536585 1196393 1350203 1105194 1069544 1067997 1310152 1323846 1346504 1195366 1394156 1332062 1460895 1521730 1843986 2093772 1985200 2521334 1618927 2062374 1810498 1627128 2390450 2242521 2327814 2014691 1982121 1766723 2023476 1115645 1007926 1005262 1173260 803991 1086697 1139363 851536 1008069 1245565 1221289 1187668 1114106 1077516 2-oleoylglycerol (18:1) 7218558 25564168 13858463 23672848 14320825 4964780 6295348 2255164 5183292 5825446 1597989 2090374 736502 2626567 1889147 1530217 1639251 1546478 3026427 7221207 1995021 4174869 4327867 4921356 6307880 5681820 7943630 6884643 5119921 4873861 4131478 7629265 3792738 10150857 7197964 8098702 16533947 6364972 7127909 4370466 3861553 5280958 6348042 13960260 9384603 7895560 9294255 10948043 7855302 10067803 2-palmitoylglycerol (16:0) 12909360 44442072 25905608 43809704 20735388 19604532 26038588 10847839 26565756 21253524 4023462 6803029 11570597 15849067 1732104 10499136 4883863 3281073 5293351 6223843 16363346 16970130 10614102 9159483 8786721 13328562 14111177 18151158 12759414 9493274 12871060 21716170 11117953 20128896 15653496 17165520 23082826 6358677 12059770 6321994 6192106 14375815 17748520 10844130 7426809 10505015 33805096 10116251 19452248 3'-dephospho-acetyl-CoA 58938 42149 30631 39562 45028 25751 26612 26281 26198 44736 37052 26438 51883 37003 35968 22777 28043 40835 24052 31875 33028 34649 32476 33582 26087 37872 43171 43202 19072 34920 29874 39417 45437 22163 41066 3'-dephosphocoenzyme A 185602 407056 229233 373529 352258 401819 352538 283399 464077 373045 797307 613024 696946 708387 680856 1448329 834565 836510 1148850 970956 1126238 917234 1016633 1249136 917441 1078215 1062737 1268908 1179660 1065195 1274216 1009306 971777 1317158 1295223 1187037 1184577 1165177 592893 547848 647968 699157 587568 660318 1030995 465666 644643 616313 1006424 744731 751158 758404 3-(4-hydroxyphenyl)lactate 748342 830980 755572 940837 850026 900016 980431 912022 799443 1060737 971815 950289 1352185 1025544 943245 961958 1037748 1071826 879487 1653149 1167032 1066486 1553558 1398178 840977 624151 1416836 1302227 1232912 1278285 1022028 1188976 1046629 998807 1217014 1133286 1262945 1179366 907165 900951 940533 993965 864812 1206535 1163179 989889 853840 882304 1207147 995905 900522 885197 3-hydroxyhexanoate 91397 80799 139536 85150 68293 88598 353580 99607 89926 119119 137437 129743 89415 93616 115994 313454 103919 81347 94591 94146 97382 65109 43108 82825 108169 84247 67679 57780 58955 71786 3-hydroxypalmitate 3710158 3861168 2914458 3583609 4361027 4630159 5468567 3289756 5397368 3918744 5265242 5565341 3620981 3023553 4665261 1453495 5918020 4813655 4834035 7266609 5067104 5324922 7630148 5875902 4158494 4020584 3442729 3929214 4136425 3366966 3225959 1760782 4001777 4668053 3624755 4125212 3623477 4284882 5044659 3324016 3039591 1818550 1831055 2035562 2304279 3887023 3094569 3222764 4477586 3959119 3741002 3106323 3-indoxyl sulfate 105516 128939 209648 256510 137575 176208 119820 159217 180595 144732 145310 228973 105031 181742 47245 74112 93138 68573 74658 104547 77215 94528 49315 41923 72845 3-methyl-2-oxovalerate 314607 251599 282290 234721 117384 364274 425163 260884 493487 331221 266636 466778 393688 389293 327591 199413 306762 289717 275387 134429 248300 237845 366675 3-phosphoglycerate 8048648 11354820 10498196 10550018 12179518 5562293 4996374 6563998 4942481 6693948 3908170 3296876 3759595 3564832 3139899 3432042 3526672 3309246 3582034 3791689 4025570 3752218 3884463 3718652 3145056 3547410 3481106 3761257 3377803 4241502 3600904 3103150 3589278 3405937 3112229 3349171 3531809 3378461 2886738 3187587 3580765 3188872 2944553 3110902 2905619 2482462 2789151 3089834 2716072 2560296 2420872 2784546 4-ethylphenylsulfate 15525 15782 17275 69271 73416 75171 30508 32111 23043 52004 56831 43320 43516 71956 70025 99920 81390 37419 60294 115554 83892 112063 125712 137433 154961 75416 130261 4-hydroxy-nonenal-glutathione 7201483 8298843 7004553 11204327 7843008 9035543 9650779 7315867 8279526 7417177 17404632 14635252 17868516 11301533 14715746 4519981 12199652 11891800 18350836 13757029 9011878 10735904 16619531 16579557 8482950 9046976 8839599 9310447 9013302 9357940 8178847 7434720 8831691 9180705 9988209 8613607 8105537 9507224 6788662 4562234 7432359 6399185 5141720 7319317 5520045 4796501 5300970 6401486 6341917 5581755 5626564 4695892 4-hydroxyphenylpyruvate 80721 83318 112726 58718 48700 102687 60287 49465 65012 75338 78539 92224 63744 81945 71160 67006 154761 67370 119727 101424 43536 136052 74009 115581 75496 70003 65924 32509 33284 4-methyl-2-oxopentanoate 882341 413694 480312 507094 306501 443822 682842 1443604 731007 2271431 495464 1728279 654768 771248 529502 287296 559364 385073 408464 172436 328705 464710 721767 145962 209565 223993 206742 213665 113959 200355 169118 177631 224017 181306 119035 85542 5,6-dihydrouridine 1533275 1663299 1459494 2304619 1361278 802086 745031 728462 760996 878296 476061 512284 582094 628302 352714 533324 449798 653321 678523 685759 624613 643364 562365 629750 506866 460462 635227 610274 718147 669584 102980 594823 614697 762613 648824 571473 463892 481770 422329 278754 391035 325337 203152 436974 436867 308235 336744 341663 420593 431407 307156 439411 5-HETE 1467841 3892945 1642674 4549140 1264749 4669297 3687548 5959973 3252031 5520739 6664342 6558345 7130409 9372206 6239816 2459830 8892703 11730155 12246940 9961882 8921806 9017517 10981247 7759624 13326674 8080755 12704111 19392328 11751673 14122370 8952747 10847533 7945223 18971676 10678877 8954892 15312593 10111147 13154305 6583264 6960971 4691659 5665960 7180800 7845795 9189072 8292938 6474090 5353205 6415306 6986044 8185548 5-hydroxyindoleacetate 21739 31379 29656 38710 24275 48704 52737 52815 41007 39429 135528 126167 91516 152378 104773 166124 154057 157211 156708 169438 155892 129639 138762 181048 204408 234824 310925 287743 312810 312894 250776 271168 292858 383139 336118 277150 281289 286876 156928 117311 184398 179525 166657 149127 214371 184166 211799 205996 227606 160810 171968 205286 5-KETE 1951173 2017866 2243770 972909 2561219 2593205 2872929 1927668 2170559 3777398 4249437 3827769 2463909 3882786 4910038 4084031 5194891 4103771 1839686 3591264 5141212 4310509 5357530 4101187 4918269 5532001 5241841 4473593 3624906 3713353 4305497 6515062 4817795 3534221 4610700 4134066 5970508 3229459 4251191 2590861 2317432 3558863 2300199 3635032 3043642 2911219 2146069 2354447 2969846 2936327 5-methyltetrahydrofolate (5MeTHF) 28045 145238 125498 217075 122889 109126 121409 96968 62225 108511 81031 77570 61454 51935 101450 85919 73276 104073 122073 105945 75684 138797 125628 142518 120599 158514 170503 180849 152614 120018 122013 152377 157848 134992 138625 148681 171466 102152 96197 109766 108473 75858 132645 148751 69219 97102 118444 119745 100110 94243 111765 5-methyluridine (ribothymidine) 95844 73637 65705 104629 64042 50666 47861 39125 40387 32957 30288 25697 25470 33091 25472 23509 26008 34156 33222 45165 26184 39799 40988 38265 54408 39060 52597 55088 37315 40791 46368 61008 44742 45113 42691 51708 15083 5-oxoproline 9978819 8372736 9286557 15283988 8649234 8488670 9502581 4693718 6584527 8770527 13228677 17763706 11947254 13176113 12560480 12972919 15789604 16385638 15039583 14499751 15363157 18808212 18833240 20243448 45586556 43952768 51483464 48956956 54904444 45180980 38376076 38611884 54750748 56876480 41548148 47289404 49936192 53283880 45739432 31978630 31519010 33151370 27667582 36135808 49348160 25759572 37704408 40490736 44850088 48529584 39774232 42341504 5-phosphoribosyl diphosphate (PRPP) 158037 197743 205434 298764 228648 202801 220264 203255 207596 232256 238134 161307 290526 145273 367178 219903 83494 114346 200629 102570 76433 49143 139946 154666 312220 340335 323506 401632 397633 468525 408854 332216 367745 401935 403102 402185 366499 522217 478997 455311 546330 482949 465312 521651 492823 476908 467890 578459 472939 463258 453612 442722 6-phosphogluconate 529543 999069 725737 694600 1307529 2163978 1625710 1682167 1454765 1340764 1359875 1578409 1423913 1231675 1060651 906112 1584595 1180218 1466064 1166974 1269566 1026382 1843759 1954627 620216 680181 1350995 1025987 973180 1201312 1082126 842268 627957 1152699 1010494 834377 1074202 1268046 505923 494206 701373 358839 386729 604579 489527 138158 348712 763548 273790 697520 251646 339827 acetyl CoA 35111 27292 38320 34077 33201 43567 39948 28651 37813 28102 42251 34286 42018 43528 40099 aconitate [cis or trans] 1005999 1016037 949378 1189596 907357 990708 544633 1017219 994360 1141843 1826311 1465895 1898682 1656025 1911946 1055898 1932264 1801452 1858273 1789954 1868998 1905127 1247293 1539999 2507536 2329848 2659356 2505785 2479247 2085133 2237314 2465533 2951994 2106167 2164163 2478813 2220808 2241620 4967668 4814301 4398680 5360433 4961544 4874046 5589212 4205819 4822984 5179974 5245972 6139390 5576815 4883848 adenosine 2'-monophosphate (2'-AMP) 1002254 800701 927450 1175417 591705 673156 630410 742548 551558 1012821 1619492 1460837 1669999 1102409 1569914 1080401 1499227 1089655 1806456 1325336 1225769 910508 1511038 1525181 1328516 1028176 1147341 2041019 1859342 2030795 1480448 1546381 1525252 1523791 2068469 1203570 1525157 1102880 1452621 1205025 1611913 1229101 1458587 1654822 2016151 1361232 1633649 1340825 1776451 1566356 1351776 1425529 adenosine 3',5'-diphosphate 22807 20480 33839 42104 54663 45028 26140 24676 97544 76835 106528 74035 111862 76346 74538 103404 103763 104759 136294 96037 96139 95066 adenosine 3'-monophosphate (3'-AMP) 159376 101794 155928 158786 122827 96684 131457 127593 89155 135926 157605 150188 154026 97638 147538 131737 149423 122585 163319 130278 111647 103391 201798 182970 212694 197350 238874 249445 314798 271074 181768 200702 243677 225355 267381 200061 231767 174103 228747 213160 268506 252555 203878 240520 309734 203507 241697 258797 266548 209765 218897 222700 adenylosuccinate 122984 118482 62815 194556 110200 66091 178876 104159 109863 183215 29554 ascorbate (Vitamin C) 99265 147086 14890197 4723785 2387526 5731386 4234059 2943606 1748531 1105195 12490905 1334957 179071648 39346732 28746998 17569388 50237280 100937280 36178276 31095576 21452480 38298332 30438196 58649028 46567528 61753444 55796608 53133140 71473168 59292156 48504264 54922520 37713928 43686628 49838292 54472360 85284096 46193980 40456420 58214440 61547656 112470440 53793160 83065072 78198912 82472976 88266808 66943724 108893128 benzoate 1663627 1557038 1845672 2021853 1733986 1116197 1251732 1229795 915072 1561002 832707 386266 1140735 6079426 1071800 933087 1304147 940227 735647 1110797 706901 1189341 1134046 4440505 1642051 1337853 4870976 969873 1755952 1420822 1236039 7765425 1511792 1734283 1525666 1583926 1428809 1334809 1099808 1158504 1611141 1852384 1044179 1568423 1432941 1578968 1477934 1351730 1092819 950675 1446379 1615296 beta-citrylglutamate 140885584 155875200 135577056 182135584 136240320 136843392 138082704 119610192 125037848 136403648 37866712 42458080 40362984 35749448 36927976 41696952 43174376 39907664 42763412 43414956 43354808 46645656 50862488 51732576 22057034 20015364 23656916 22981460 24100588 24619636 22543452 19422366 21813878 23506928 24044338 22144004 23527580 24184206 11683148 9868189 9371830 9692951 8842631 11619865 12077413 8734379 10822903 12880826 11318747 10774971 11485944 10212480 C-glycosyltryptophan 717105 810205 636320 975083 648335 766994 847260 759984 742408 769993 1330163 1352444 1268439 1203247 1145911 1368568 1382042 1235180 1432374 1439640 1347776 1267532 1553413 1583314 2084507 1899331 2510913 2207626 2410161 2045873 1731290 2011125 2262916 2402863 2122991 1901610 2071274 2183781 1245925 1008705 1163180 1361292 900007 1441355 1357927 1032743 1089000 1493833 1184794 1309000 1196619 1219559 caprate (10:0) 3636449 4452953 3712281 5448280 4671323 4961022 4907139 5149823 4185007 3762242 3685725 3771570 3966722 3778255 3094305 3323790 4054394 5007035 3677290 3830716 3502889 4576411 3978362 4626180 3926037 4912199 4559592 4053045 4982201 5213799 4083965 3728896 4685558 4215300 3693205 4458836 4858905 4767078 3320538 3696379 3321907 2745148 2784955 2972996 4100925 7582964 3934174 2976126 2557967 2602884 3297449 3839125 caproate (6:0) 1622437 2083068 2244813 2864422 1589315 1824641 1505360 2056657 1314420 1753173 1542813 2295271 1932994 2006663 1204938 672248 1853771 1962095 1754144 1573440 1282964 2219528 2208791 2137872 2179845 1313840 2023720 1648546 1942097 1761150 1431705 1439645 1648429 2203243 1314603 1902876 1715183 1946310 514707 600390 613251 863833 687716 849732 859056 766828 1036551 815123 484190 699644 559236 557237 caprylate (8:0) 994796 2174550 2850243 2166134 2547679 2151260 2347414 1150249 671347 3393359 750078 2774675 3345588 1019857 1782938 1465140 412700 467794 2683831 674880 3361611 1626210 905742 1759205 1154750 5348347 2601582 1044139 675530 1894829 1384923 2008807 1627333 2523899 1192943 497753 906419 895830 3090856 1553193 194953 3521283 741243 544167 cholate 311227 169099 405860 346957 224785 182548 351359 318834 319023 196245 409841 634607 292555 157712 53082 43619 28866 47548 69756 89309 citrate 5807918 5889222 4585329 6601570 5027123 6503706 7403283 7621264 6946634 7777800 14161760 13198017 14958825 14395361 16098210 10049357 15825900 14323427 15624209 16117929 18108700 17414464 13690926 12834834 18757752 18372032 20593768 19506504 20078496 16877200 18366838 18377156 22951054 16225719 17214272 19374870 18367104 17905258 37946732 35550272 34277920 40910880 37362696 35227708 43246920 32003976 39631892 40296800 41552936 48088784 40633544 36802568 coenzyme A 49426 96146 69071 94693 101998 102807 92844 75813 58022 126203 194372 181200 173948 188321 147575 208538 273980 256407 265996 211191 350112 296821 234704 235002 544118 349197 532939 568841 630096 530766 412042 631536 788259 603881 581926 426715 426381 563042 534576 533155 507436 585982 607204 649673 735801 867955 778920 669293 760547 704450 593401 898814 corticosterone 30035 116326 173007 88185 136558 122892 39468 42080 39499 34268 23886 112277 33577 116324 57623 33736 25058 172018 138253 358267 68446 77088 100105 31231 67137 73454 36513 dehydroascorbate 44672604 52957224 35751696 59188632 51809984 68503616 63992912 52986472 55755872 68773296 86565592 78740880 66512900 95099600 80763192 67948704 89707712 90241112 101860936 81636448 89114176 104239352 101418528 86381192 106591072 102708792 98995456 112325568 97819760 95771736 101554232 113068592 102707264 89982688 111059464 96282840 103131696 93392488 77495816 88040848 87508216 126587520 89969744 92966856 98525904 92679160 94409536 94001080 105905336 92589024 91590328 88454296 dihydroxyacetone phosphate (DHAP) 1995052 3095467 1905529 2633919 2105385 3151923 3209372 2921085 2856696 4500858 10790141 10588632 9774907 10909325 8782649 10544148 11895510 9998292 11220256 10313616 12127880 12137950 12157450 11341668 13399106 11794488 16501677 14070661 12519616 15272925 14627294 15185807 10900354 11111572 12571909 12977709 12868578 15701805 15348273 20812200 15846497 15555906 15263035 17084956 18803868 10302674 15139940 17191276 14420530 15696510 15180260 18447384 dopamine 3-O-sulfate 746281 1051666 707412 1148487 567700 660824 668045 620379 536519 1146009 555197 449051 707180 616909 496152 195771 400919 597866 905235 748511 586001 927709 711743 582004 595260 574280 921987 836130 794852 690980 502902 555613 531264 886118 650034 761981 643887 662526 235875 203730 256879 205209 179945 327988 237277 129319 222534 191506 214634 185526 164822 223712 dopamine 4-sulfate 793027 572451 664417 803471 606734 340497 446427 556444 449039 420774 549010 648282 632466 363602 529958 255275 208132 357069 152900 57694 201027 375300 586016 142299 113892 131406 132469 128556 149652 50341 65810 63552 180904 149981 142442 flavin adenine dinucleotide (FAD) 532297 662973 570605 793274 545126 656502 701994 590408 685621 647805 1044377 964196 953205 845854 878768 1063631 945115 891116 1073115 1024162 917091 883892 1131829 1212058 1312043 1342020 1681056 1547701 1387758 1414655 1333825 1202340 1397842 1565461 1505161 1401157 1545898 1385683 1195468 941168 1046132 1069051 846644 1166130 1313225 859444 1008923 1164427 1283498 1123206 1097474 1091118 flavin mononucleotide (FMN) 66279 74776 63228 104510 73167 122920 109225 72289 102815 111051 226006 234491 238442 205830 215980 210438 199000 254143 269598 259020 237943 296614 327063 304938 414346 463185 654306 563224 592913 626660 505574 411830 493454 661500 476654 563715 543031 530113 390297 269686 351732 391896 308018 380214 599608 302842 409290 358116 378960 372152 335856 428641 fructose 1,6-diphosphate/glucose 1,6-diphosphate/myo-inositol diphosphates 1082911 1786637 1142875 1685597 1299890 2494468 2657786 2619690 2325286 2996112 7025229 6250037 5958466 4607342 5836049 3914753 4677506 3055826 6692006 4195109 5127690 3584209 6571355 5303978 5060657 5322758 4007223 7489802 5279927 6863444 7269641 5131238 5495714 4496383 8698448 5074852 6818189 10657546 9979692 10151725 10504292 7070901 7388205 10101362 10578253 5512306 7885933 10771249 9244775 8648021 7187753 7860830 gamma-glutamyltyrosine 30182 31094 80180 67053 70356 58784 43127 62574 70205 68288 45748 37934 58886 35790 24162 38438 43478 29396 51012 78789 19382 43211 34615 54159 38385 28776 32816 glycerol 3824857 4848374 2907121 3584268 3262179 5104229 4058211 3968224 3515383 4613591 7243431 9581568 7094537 7042088 5948055 5594358 7365752 7434488 7258259 7058824 8390527 7436465 9830093 7781027 12338645 9555223 12436039 10717667 14291167 12171754 10104525 10779056 10850307 14943459 11264133 11857380 10812498 14055583 10697509 9337871 7611794 8124046 7731676 10032225 9960956 9077542 9777930 8699629 7276913 8276297 8089809 9079851 guanosine 15693107 19270280 15339561 19882964 16583240 17745086 16172983 16109825 15467959 14322486 11306469 10535137 12563981 11909851 9449412 10590603 12581080 13719800 12888056 11814637 12804544 11774720 14779959 14710139 2201817 1894334 4075290 2595056 3503794 3316612 2518539 2923857 2825436 4356361 3029229 2577484 2489683 3386917 1301027 1367075 1180773 1282236 1275258 1615028 2466763 1199074 1735349 1855691 1581754 1945136 1380314 2052394 guanosine 5'- diphosphate (GDP) 514383 643914 703263 900153 601791 383530 427521 313648 314466 443312 659196 566360 499802 588268 419539 715148 698249 528267 839356 792973 881900 718821 873326 924126 386660 396861 250177 373640 202936 267503 374381 390939 383824 269255 446722 348691 399396 408272 296049 275869 486303 164775 291276 303276 207197 322047 294596 345103 heptanoate (7:0) 445435 321948 378927 1317353 412027 497537 1994456 407492 250122 319843 411331 452210 435539 353801 506688 245757 439760 558136 345272 437532 506774 334523 2017616 412750 288328 406581 429652 603595 286770 336380 412125 2644718 442575 487527 535843 397342 248083 523032 419901 461378 246954 354902 hippurate 38082 86367 102390 36561 60611 51697 89174 78581 65891 143324 55578 77734 40827 29607 51786 76240 162296 154948 405251 280139 351606 251820 122334 258982 359915 264148 185147 191625 206028 153283 115845 108632 148746 104317 94431 123070 135881 215972 151507 88607 140627 119818 77689 139109 histidine 12717559 15291069 12685718 20979454 11845899 10717916 9670298 10118382 9283616 9992307 13001887 15708063 15617279 15000382 13827873 18567272 15701872 17579980 17656276 16555178 15988637 15743445 17946350 19190904 15347617 13164055 15503861 16328911 16448378 14454205 13628605 14490730 14787084 16428486 13841192 14876237 16264669 15058344 11423916 9424013 9530282 8503961 8551657 10560752 12400685 8742583 10138351 10334824 12020956 11112509 9171907 10503792 hypoxanthine 23399886 27528124 25821596 25343260 27851024 36573080 34357336 30029372 29534604 31532348 60260444 69738688 59569708 71551720 47363544 72853824 78318592 88857424 67875328 81131656 72768984 89819352 77557472 80534368 87169544 83731480 98416264 78262248 95274176 75340664 78304656 81416208 82980384 84691104 69234040 77822424 95358352 86367176 72675672 80589840 60292008 51313608 61919248 68262560 80520144 41186912 63975644 72647496 65105896 81222496 71175088 78340512 inosine 109161632 138608880 107154432 151606368 108603952 120663648 117057816 93746232 91161368 102680536 106620760 127043632 115991064 93055112 120690424 109572344 101367168 106613808 119929408 105549480 97766368 99395856 126868288 134661280 198043520 175922208 233165008 213182032 218262144 233863872 182108896 174954432 213972288 256025904 223220080 219830688 204461440 227132256 189673328 119055032 152739152 183371856 126949920 202971296 192310720 173398496 158651056 173195040 179003520 168827360 151197536 156976560 linoleoyl ethanolamide 141289 205337 110831 57168 120198 123305 194410 176534 316491 191245 390068 257978 247563 733031 572005 636088 515321 721390 620433 632808 603313 819988 1096219 524775 624975 585135 741259 1290048 346240 544669 99681 196984 365929 259738 757700 338916 672842 481838 638936 450779 559622 maltotetraose 4678451 6554586 4518065 6000429 6021668 763184 612190 686803 844839 725001 173547 195931 209328 196436 152625 100006 176834 80549 226354 221719 185750 274064 265954 61079 76682 115519 155706 63280 133383 18187 50989 63195 161319 102748 43666 41518 19102 71756 110135 65828 41501 65300 maltotriose 4494662 6082951 4181260 5897081 6083481 1033782 756203 836549 998777 844879 363077 378580 304939 310668 331240 235840 378246 269559 352759 401147 395827 363586 538306 477123 201078 165780 490519 325524 286883 301037 294425 200888 174090 302481 323599 321885 312678 348177 156038 154890 179885 103250 128304 175140 123318 554887 163096 231898 173389 113478 146549 N-acetylaspartate (NAA) 137154032 156812960 127393680 168732288 114544616 211565680 209502896 198900464 182160640 202963360 710254720 780751104 724506816 688647488 627853824 717448768 811067968 822754368 788769984 749945280 741043840 784484736 807148288 845264128 1120681984 1034201280 1182217600 1126376832 1157052928 1112009600 1034507072 1104028544 1127747200 1128500736 1085331584 1078661632 1116998528 1070422016 1180682240 992225472 1038206144 1053785984 945933376 1126901760 1159014272 889200256 966830400 1164568192 1187727616 1168455296 1116577152 1085470976 N-acetylisoleucine 32193 39984 45426 70275 41519 73916 45992 51417 48438 56312 54273 66394 39234 70257 38757 61179 37651 N-acetylleucine 54188 52056 60868 52862 57903 90174 47604 62741 60626 62299 66516 85892 78477 76161 88590 101566 76835 59484 124108 87206 99079 88784 92752 89495 135411 83033 89214 95961 88047 66625 109798 76487 75863 40044 66475 39726 82914 90395 53498 N-acetylmethionine 796480 878200 654476 884607 759457 1101199 977761 860811 926022 880677 1841396 1923768 1801093 1681293 1399119 2679644 2344059 2111653 1931765 2607922 2727788 2170765 2348743 2362073 3274168 2639593 3473152 3301356 3505964 3324788 3285649 3435040 3500633 3300966 3567974 3028701 3638654 2799023 3465161 3118058 3316490 3074903 2620477 3433860 3673837 2382110 2712872 3873644 3592566 3802176 3504007 3033535 N-acetylphenylalanine 170165 120580 59169 65369 97082 93774 60656 43248 82233 92424 153064 125444 161084 123176 118084 109994 147232 142215 135185 177906 126189 130000 166369 184468 89867 72503 169869 126653 144761 102499 110284 132358 148563 144460 146127 140957 130043 71202 122697 69246 52627 36908 31780 57291 40664 59231 55201 18999 86840 85870 67667 N-acetyltaurine 10354700 10044301 9444044 14447776 10304191 5392706 6426037 5530306 5573378 6353358 2591988 2640595 2463283 1996081 2944630 1915515 2330103 2464998 2844268 2608943 1898998 2224715 3096884 2696713 1774749 1448329 1941565 1663195 1628059 1912127 1550734 1277503 1416507 1562866 1830465 1566505 1604338 2012376 894632 535982 707296 549272 440686 815947 636438 603580 509662 728301 690278 630342 571450 559923 N-acetylthreonine 1036718 1170077 883873 1239933 1061125 944614 865561 867206 875233 1035286 864391 990692 1037703 1009816 820183 732228 1016104 1147560 1136221 1116620 914513 996079 1095357 1113881 1081361 882457 1645862 999504 1280967 1220181 946592 1206078 997912 1278761 1118285 1004428 1177246 968404 1112619 610463 737957 533016 561381 955375 896078 682781 826528 647445 683153 786233 914968 795563 N-acetyltyrosine 282446 194246 99478 172178 274875 125383 147081 278573 365380 332204 265430 421731 241292 313958 249521 288430 285719 256165 470726 324426 301177 469857 475217 127228 70418 260329 286480 281149 141193 241465 270688 320993 256025 322839 301154 290549 141129 278729 133812 82758 89062 83184 237867 90824 81741 134047 67952 91554 143844 243393 140470 N-arachidonoyltaurine 130811 148115 326562 127014 168940 285044 154122 302105 306501 151804 457940 430678 499058 739509 935460 683949 1397404 1032430 1038458 1698246 738982 1327027 784709 2182427 2407060 2385694 1035763 877896 674921 1601925 3258321 1146172 1940701 1220032 1041674 1474236 1257486 666611 200097 337127 631790 392918 926452 819737 614746 997851 1227954 1667047 1622658 N-formylmethionine 191244 199613 150870 217697 140808 151183 140149 160629 123976 145839 160797 196042 210156 172113 141419 148016 184308 200329 209076 194252 193897 181072 187438 245170 289093 271372 354569 314989 342664 335239 261014 287837 322013 360871 294952 279654 317298 284843 173428 133572 185937 164048 157545 171063 194975 182511 194352 183294 182462 191621 185894 148132 N-formylphenylalanine 299339 364743 335836 383783 182847 188635 219736 199953 116088 196111 148393 209897 160480 114668 96581 121068 171204 107688 89358 88602 133847 176504 168683 194806 129050 188793 126293 155191 176043 121098 161661 203809 226637 139343 162667 144449 241887 89079 69251 95027 121997 82989 94735 105310 73930 126792 84246 72216 86678 115044 N-palmitoylserine 75129 133638 119560 134643 87948 96132 155107 77006 145943 82000 73153 274452 245874 157331 171167 547917 265204 286537 893972 208848 160618 603803 471355 458523 404535 268893 1911075 844521 612177 264553 358539 845001 473114 1208283 931908 604350 1071903 1171809 1037027 1462187 N-stearoylserine 142392 338570 213504 435693 230762 444916 437214 145250 302681 487977 994475 1180165 1153710 797971 762517 478073 856156 1064722 1266836 1090841 840816 1150943 762726 1250880 1474208 737633 808275 719605 789588 651657 519757 677755 1212535 978344 1115087 729163 835307 906471 1400747 455482 701217 223118 360921 744582 343284 682733 386406 444137 690346 495224 473069 342564 N1-Methyl-2-pyridone-5-carboxamide 196007 349791 179946 252831 169409 165557 138830 74123 114201 55901 94178 38412 80702 41757 46399 52403 64033 67314 200478 368999 53873 67447 103683 211543 94119 176038 106701 62850 79144 40954 35289 50386 34191 96706 N6-carbamoylthreonyladenosine 364919 389369 367600 481955 322425 155901 155293 113591 133581 167959 90375 92263 93082 77252 73543 82795 87270 70938 90930 94533 76627 82046 130816 89754 93922 96653 121318 122988 142655 126703 101594 99469 121821 114414 120196 105902 117056 109731 104540 75915 90124 90005 60982 93216 105387 59966 74489 95953 101592 112147 85975 87960 N6-succinyladenosine 660812 657710 566263 772577 586278 582220 594848 474300 556447 575779 291378 244450 317276 223873 229218 333970 287837 297202 371510 392345 306499 323353 306729 326010 308063 310935 369461 356957 426502 349559 239117 288653 411526 427106 307883 283722 246302 298787 202868 128516 218426 227350 153129 257506 265593 156425 207402 189835 228557 202676 194029 205458 nicotinamide adenine dinucleotide (NAD+) 186250 170808 215863 180207 223568 139562 99811 120137 119871 110176 134574 127601 132225 131726 100074 177263 148559 165715 150692 173416 209436 182293 171071 173179 196702 225916 306048 238909 245764 229442 204532 199173 233398 232964 219650 239584 258672 210562 213455 189099 200608 212113 200228 217545 251854 188824 215398 234122 250359 225984 224642 214713 O-sulfo-L-tyrosine 119463 121980 111251 148106 119581 80919 94491 68319 60629 84399 129963 118585 112465 124063 109666 114305 112212 96673 104741 133871 112308 121299 152101 141716 184418 156698 212638 175929 176775 186324 140927 158029 207381 221671 178495 168613 172843 207865 137003 119083 139500 122261 101034 144342 176278 73449 114037 138918 141345 157006 127923 111047 oleoyl ethanolamide 112003 509668 489391 285568 366749 304292 191882 323825 759474 1192187 855212 717254 724601 747373 991294 1220490 920687 1071102 1040762 1343491 1434247 1247317 4614356 4156825 3941181 3300806 5036902 3399071 3204650 3495452 4580921 6273101 3364471 3756679 3746737 5126738 13956056 3872877 5708480 1544951 2517558 3638586 3337470 7141073 4301315 5824151 5309671 6005807 4413562 6240289 palmitoyl ethanolamide 723098 1145496 829915 1351594 935034 1150062 1116209 590583 943303 1056651 1111381 1350753 1085909 1065918 1175372 914241 1450017 1530069 1417177 1559796 1227746 1753417 1565220 1541818 5698124 4833030 4653978 4030373 6265029 3728472 3819001 4335935 5209214 6883172 3812939 4116485 3997869 5829554 26838080 7393568 10958726 3004517 4642610 6973142 6774055 14466842 8444338 10960590 10348153 11881165 8429909 12585894 phenol sulfate 80676 57360 85115 73839 162613 72302 114992 95483 230785 126747 107951 91185 172926 70094 70390 46996 83924 38623 68781 90853 61009 108908 128302 62566 52900 57978 27064 79699 phosphate 100589160 108114856 101143336 107830696 107090320 113082392 104857024 107146336 108663800 108598912 122754696 136892800 132668160 133640936 130281736 128532464 130827648 135832160 122494424 146379664 128714240 133048560 138281200 137647232 144395888 144382784 162383792 149985424 142763552 147751488 137677984 146320528 144330816 156284544 144249280 140546560 144646624 139596992 140420016 138447296 131761312 132133304 131451344 143261968 148510976 133577840 145889856 140292352 141902064 138178560 138984496 150607312 phosphoenolpyruvate (PEP) 4445578 6237532 5867974 5926852 6707307 3111689 2764843 3737818 2706178 3858992 2634002 2106284 2409170 2671807 2047302 2402594 2538607 2287888 2366320 2741158 2901866 2622836 2493864 2450225 2234000 2377744 2186433 2545021 2138902 2773433 2527701 2071798 2317421 2037015 2073043 2082852 2315867 2123102 1995209 2168126 2200379 2069112 2052219 2229110 1946801 1638154 1810842 2136826 1743247 1766620 1508343 1844669 phosphoethanolamine 34922288 43825972 34984868 47812900 36238216 42289292 41811308 38502036 35213996 41811984 30346614 34232328 32192288 30830554 26365880 30515240 38145864 34399344 31913700 33796408 36204904 36580232 39739980 37466456 25498532 22589674 28587082 28262412 27769708 25689756 24001112 26672114 28406452 26571110 25990156 23905924 25556330 25732716 21401628 18800400 18995924 20254464 17197028 20899318 21665550 17047412 19222668 22133036 22024968 22501962 21048318 22189116 phosphopantetheine 46107 35174 75785 73069 118793 120940 84934 72569 83795 302459 262722 177260 331945 243205 576278 431448 359126 372123 429160 549626 489450 526115 488410 856692 936906 1051170 1015388 1215277 853802 867915 771082 973801 1000789 920239 837229 972314 959931 681444 755707 583543 609403 462495 857381 1071207 574220 742329 852229 869712 927510 730408 834739 prostaglandin F2alpha 750003 579207 535681 594104 624004 991871 1225176 849155 883756 1013093 1465802 2261748 2018254 1996113 2058110 1840846 2102117 2170653 2073116 2094671 1709014 2373325 2584883 1986658 2581361 2209324 3064043 2324033 2591513 2762791 2059285 2335920 2874747 2924710 2892883 2485266 2401448 2979286 1993590 1217941 1764470 1903203 1146480 1626839 1467600 1363931 1220592 1737382 1287885 1377576 1398935 1167153 riboflavin (Vitamin B2) 326264 339799 317751 345203 304139 357346 324550 307790 286681 340427 329108 309378 328224 291100 240979 275421 291104 315630 345283 290680 299902 295136 364953 311713 475987 476286 666246 472337 641218 520977 359978 430590 539298 595793 469022 495638 492351 471750 511170 381105 472317 404724 336575 486754 415291 401527 466025 478462 423832 432687 384407 393799 S-(3-hydroxypropyl)mercapturic acid (HPMA) 283360 239634 105342 194238 79747 23138 27158 32411 33898 14546 14784 34907 35925 20337 25457 31379 24208 27545 71812 49087 58098 53730 54921 64052 54131 48693 68322 63587 47910 S-adenosylhomocysteine (SAH) 643155 658984 589243 753461 636839 848406 857433 646176 672130 693309 656995 604900 637545 573414 574543 912387 841120 668892 746192 999588 1145524 919935 904035 756785 695055 581771 761355 699635 971540 713274 681384 733836 820844 873785 813335 709519 656923 835342 846975 691575 877005 910041 687028 862935 1041813 680403 808202 1038535 963369 1082590 792133 820364 sedoheptulose-7-phosphate 302083 375923 325348 193519 362755 481513 355646 690285 529980 403333 2296556 3080683 2196807 2502965 1708417 2291279 2995108 2758908 2838073 2728169 2840676 3232594 2932022 3131338 2691391 2265619 4075506 2911486 3305378 2482293 2753126 2980906 2794746 3080390 2718191 2660389 3139592 2952972 2663337 3254667 2197106 1409526 2174711 2396359 3151543 651150 2123901 2987366 2756674 3413184 2430986 3145345 tartronate (hydroxymalonate) 4975805 6036736 5733788 5846691 5053122 5151875 4510943 3967910 4810485 5157297 2898879 3400133 4947614 4000012 3408663 2701188 3133406 4643568 3401465 4267856 3641721 5126247 3272524 4022861 4607600 4694014 7275964 4691733 7442978 6362137 4880256 5303045 4698489 6693749 4630554 5326473 6492254 5642319 3174240 4289368 3451314 3303598 3834406 3502981 5772331 4010400 5337287 4320034 3827750 5066758 3860318 5551395 thymidine 735822 1046802 699464 1063894 637302 762010 901912 660643 768663 797280 700010 786340 698151 759612 572752 738297 775643 757671 717602 667860 792297 732568 789917 894222 537030 558993 758344 640073 705099 725645 517194 565560 646471 698800 661501 604014 593296 692384 329346 291622 305594 352710 271153 358089 345744 328813 271220 344568 276880 362073 317673 304290 UDP-glucuronate 1495984 1624334 1372869 2017743 1591433 1061992 1196644 819837 1229812 1016568 536152 532625 517657 450924 536305 673367 520844 503333 590377 582118 567963 414538 733841 820798 159892 129487 236779 177645 179669 195370 220170 199727 186061 324081 248249 196572 200267 251910 85145 56708 109070 164317 95867 94977 81049 41259 46581 91883 78698 116242 103599 43084 urate 327608 143917 330777 212046 393361 324970 169621 268388 243681 310923 473585 444779 187412 444523 359830 355070 224638 344920 164031 552791 432621 520879 432466 481338 741788 764541 751359 641843 520459 318307 592297 698368 514970 606615 499944 479524 778690 594558 556577 620317 763305 601929 641155 643510 501832 551220 564292 576935 679424 560444 654374 646874 uridine 58548352 66341688 57910264 77114776 49042544 57879272 46123792 48029820 43287200 56167944 42465284 49366764 51082604 42325280 42874416 52324312 42619712 60672024 61963900 53995936 52001404 52618788 47111792 58243660 50329324 47058216 54373132 66113904 63559960 63447124 46110192 61737064 54463244 60412792 60867896 53023064 48240488 51404492 45920616 32524352 48326896 41252136 37246196 49428936 45368948 45752912 44819008 37675716 42073360 36394288 32380652 45339944 uridine-2',3'-cyclic monophosphate 702944 891367 719482 1272703 1157833 113701 108710 68383 106066 66154 18559 39662 45528 54068 27671 37906 65481 52813 25822 51353 72102 100142 54418 49927 105005 48784 85709 77748 54634 28267 48360 102083 53430 80756 75399 84338 41917 75893 39315 30869 28570 60040 40521 xanthosine 437967 631027 443070 656580 489433 447657 450211 374057 339078 302805 310539 360395 256625 249465 358745 274315 238901 271766 233407 253744 188857 276613 289941 310351 1102155 1073758 1312347 1125385 1087698 1251702 907461 815304 1030158 1094900 1100641 1208691 1266259 1175682 1353647 1067492 1331488 1674470 974158 1525471 1086102 1422008 1177975 1585527 1167119 1110150 1159095 1116600 MS_METABOLITE_DATA_END #METABOLITES METABOLITES_START metabolite_name RI MASS CAS PUBCHEM CHEMSPIDER KEGG HMDB_ID 1,5-anhydroglucitol (1,5-AG) 802 163.06119 154-58-5 64960 C07326 HMDB02712 1-arachidonylglycerol (20:4) 6250 303.23293 35474-99-8 5282281 4445452 C13857 HMDB11549 1-docosahexaenoylglycerol (22:6) 6150 309.22236 10477810 HMDB11587 1-oleoylglycerol (18:1) 6650 281.24858 111-03-5 5283468 4446588 HMDB11567 1-palmitoylglycerol (16:0) 6550 255.23293 542-44-9 14900 14201 HMDB31074 12-HETE 5326 319.22786 71030-37-0;73837-14-6 5312983 21509475 HMDB06111 13-HODE + 9-HODE 5275 295.22825 43013 15-HETE 5298 319.22786 54845-95-3 5280724 4444307 C04742 HMDB02110 15-KETE 5270 317.21221 81416-72-0 5280701 4444287 C04577 HMDB10210 2'-deoxyinosine 1688 251.07857 890-38-0 65058 58569 C05512 HMDB00071 2'-deoxyuridine 1586 227.0673 951-78-0 13712 13118 C00526 HMDB00012 2-arachidonoylglycerol (20:4) 6170 303.23293 53847-30-6 5282280 4445451 C13856 HMDB04666 2-docosahexaenoylglycerol (22:6) 6050 309.22236 24765781 HMDB11557 2-hydroxybehenate 6384 355.32177 193484 167899 2-hydroxydecanoate 4840 187.13396 5393-81-7 21488 20195 2-hydroxyheptanoate 2900 145.08701 2750949 2032206 2-hydroxynervonate 6345 381.33742 5312783 4472208 2-hydroxyoctanoate 3736.8 159.10266 617-73-2 94180 84994 HMDB02264 2-hydroxypalmitate 5511.2 271.22786 764-67-0 92836 83805 HMDB31057 2-methylcitrate/homocitrate 575 205.03538 2-oleoylglycerol (18:1) 6500 281.24858 3443-84-3 5319879 4478086 HMDB11537 2-palmitoylglycerol (16:0) 6400 255.23293 23470-00-0 123409 110006 HMDB11533 3'-dephospho-acetyl-CoA 2313 728.15216 193680 168079 3'-dephosphocoenzyme A 2013 686.1416 3633-59-8 444485 392407 C00882 HMDB01373 3-(4-hydroxyphenyl)lactate 1379 181.05063 6482-98-0 9378 9010 C03672 HMDB00755 3-hydroxyhexanoate 1725 131.07136 10191-24-9 151492 133518 3-hydroxypalmitate 5476 271.22786 928-17-6 301590 266538 HMDB10734 3-indoxyl sulfate 2222.2 212.0023 2642-37-7 10258 9840 HMDB00682 3-methyl-2-oxovalerate 2064.2 129.05572 1460-34-0;51829-07-3 47 46 C00671 HMDB03736 3-phosphoglycerate 583 184.98566 80731-10-8 724 10669764 C00597 HMDB00807 4-ethylphenylsulfate 3580 201.0227 123-07-9 C13637 4-hydroxy-nonenal-glutathione 3319.2 462.19156 99927-70-5 4-hydroxyphenylpyruvate 1690 179.03498 156-39-8 979 954 C01179 HMDB00707 4-methyl-2-oxopentanoate 2170 129.05571 816-66-0 70 69 C00233 HMDB00695 5,6-dihydrouridine 1119 245.07791 5/4/27 94312 85115 5-HETE 5382 319.22786 73307-52-5 5280733 8038582 C04805 HMDB11134 5-hydroxyindoleacetate 1510.2 190.05096 54-16-0 1826 1760 C05635 HMDB00763 5-KETE 5372 317.21222 106154-18-1 5283159 1765 C14732 HMDB10217 5-methyltetrahydrofolate (5MeTHF) 1820 458.17935 68703-91-3;68792-52-9 146 143 C00440 HMDB01396 5-methyluridine (ribothymidine) 1778.1 257.07791 1463-10-1 445408 393058 HMDB00884 5-oxoproline 738.5 128.03531 98-79-3 7405 7127 C01879 HMDB00267 5-phosphoribosyl diphosphate (PRPP) 570 308.97822 108321-05-7 7339 1012 C00119 HMDB00280 6-phosphogluconate 583.9 275.01735 921-62-0;53411-70-4 91493 82615 C00345 HMDB01316 acetyl CoA 1691 403.55561 102029-73-2 444493 392413 C00024 HMDB01206 aconitate [cis or trans] 580 173.00916 adenosine 2'-monophosphate (2'-AMP) 1497.7 346.0558 130-49-4 94136 C00946 HMDB11617 adenosine 3',5'-diphosphate 575 426.02214 75431-54-8 159296 19951095 C00054 HMDB00061 adenosine 3'-monophosphate (3'-AMP) 1245 346.0558 84-21-9 41211 10463793 C01367 HMDB03540 adenylosuccinate 560 462.0668 19046-78-7 195 190 C03794 HMDB00536 ascorbate (Vitamin C) 645.3 175.02481 134-03-2 10189562 C00072 HMDB00044 benzoate 1750 121.0295 65-85-0 243 238 C00180 HMDB01870 beta-citrylglutamate 530 320.06232 73590-26-8 72715786 19992713 C20775 C-glycosyltryptophan 1777 365.13542 180509-18-6 10981970 9157171 caprate (10:0) 5090.7 171.13905 112-37-8 2969 2863 C01571 HMDB00511 caproate (6:0) 2713.7 115.07645 142-62-1 8892 8552 C01585 HMDB00535 caprylate (8:0) 4362 143.10775 124-07-2 379 370 C06423 HMDB00482 cholate 5165 407.28029 81-25-4 221493 C00695 HMDB00619 citrate 582 191.01973 77-92-9 311 305 C00158 HMDB00094 coenzyme A 1448 382.55033 85-61-0;18439-24-2 317 311 C00010 HMDB01423 corticosterone 5040 345.20713 50-22-6 5753 5550 C02140 HMDB01547 dehydroascorbate 739.6 173.00916 490-83-5 835 812 C05422 HMDB01264 dihydroxyacetone phosphate (DHAP) 603 168.99075 102783-56-2 668 3833110 C00111 HMDB01473 dopamine 3-O-sulfate 1556.2 232.02845 122136 108936 C13690 HMDB06275 dopamine 4-sulfate 1511 232.02848 123932 110461 C13691 HMDB04148 flavin adenine dinucleotide (FAD) 2425 784.14985 146-14-5;84366-81-4 643975 559059 C00016 HMDB01248 flavin mononucleotide (FMN) 2390 455.09733 130-40-5 710 690 C00061 HMDB01520 fructose 1,6-diphosphate/glucose 1,6-diphosphate/myo-inositol diphosphates 551 338.98897 C00354 gamma-glutamyltyrosine 1240 309.10921 7432-23-7 94340 85142 HMDB11741 glycerol 758 91.04007 56-81-5 753 733 C00116 HMDB00131 guanosine 1662 282.08439 118-00-3 6802 6544 C00387 HMDB00133 guanosine 5'- diphosphate (GDP) 639 442.01706 43139-22-6 8977 8630 C00035 HMDB01201 heptanoate (7:0) 3670 129.0921 111-14-8 8094 7803 C17714 HMDB00666 hippurate 2106.9 178.05096 495-69-2 464 451 C01586 HMDB00714 histidine 755.9 154.0622 5934-29-2 6274 752 C00135 HMDB00177 hypoxanthine 1291.2 135.03123 68-94-0 790 768 C00262 HMDB00157 inosine 1602.1 267.07349 58-63-9 6021 21241953 C00294 HMDB00195 linoleoyl ethanolamide 6150 322.27515 68171-52-8 5283446 4446566 HMDB12252 maltotetraose 910 665.21458 34612-38-9 446495 393830 C02052 HMDB01296 maltotriose 812 503.16175 1109-28-0 439586 388669 C01835 HMDB01262 N-acetylaspartate (NAA) 620.5 174.04079 997-55-7;997-55-7 65065 58576 C01042 HMDB00812 N-acetylisoleucine 2325 172.09791 3077-46-1 2802421 2081100 HMDB61684 N-acetylleucine 2400 172.09791 1188-21-2 70912 64075 C02710 HMDB11756 N-acetylmethionine 1787 190.05434 65-82-7 448580 395338 C02712 HMDB11745 N-acetylphenylalanine 2597 206.08226 2018-61-3 74839 67404 C03519 HMDB00512 N-acetyltaurine 800 166.01795 159864 140553 N-acetylthreonine 821.6 160.06153 17093-74-2 152204 3841173 N-acetyltyrosine 1680 222.07718 537-55-3 68310 61606 HMDB00866 N-arachidonoyltaurine 5481 410.23705 119959-65-8 24842023 N-formylmethionine 1543.8 176.03869 4289-98-9 439750 388809 C03145 HMDB01015 N-formylphenylalanine 2360 192.06661 13200-85-6 759256 663938 N-palmitoylserine 5557 342.26498 58725-46-5;474943-14-1 6453686 4956046 N-stearoylserine 5777 370.29628 15545488 N1-Methyl-2-pyridone-5-carboxamide 1668 151.0513 701-44-0 69698 62899 C05842 HMDB04193 N6-carbamoylthreonyladenosine 2164 411.12698 24719-82-2 161466 141829 HMDB41623 N6-succinyladenosine 940 382.10043 4542-23-8 165243 HMDB00912 nicotinamide adenine dinucleotide (NAD+) 1434 662.10184 53-84-9 5893 5681 C00003 HMDB00902 O-sulfo-L-tyrosine 990 260.02343 514186 448617 oleoyl ethanolamide 6450 324.2908 11-58-0;111-58-0 5283454 4446574 HMDB02088 palmitoyl ethanolamide 6300 298.27515 544-31-0 4671 4509 C16512 HMDB02100 phenol sulfate 2156 172.9914 937-34-8 74426 67018 C02180 HMDB60015 phosphate 608 96.96962 7664-38-2 1061 1032 C00009 HMDB01429 phosphoenolpyruvate (PEP) 587.3 166.9751 10526-80-4 1005 980 C00074 HMDB00263 phosphoethanolamine 638 140.01182 1071-23-4 1015 990 C00346 HMDB00224 phosphopantetheine 1597 357.08908 NA 987 103123 C01134 HMDB01416 prostaglandin F2alpha 4658 353.23334 551-11-1 5280363 4444062 C00639 HMDB01139 riboflavin (Vitamin B2) 3160 255.08873 83-88-5 493570 431981 C00255 HMDB00244 S-(3-hydroxypropyl)mercapturic acid (HPMA) 1576 220.0649 23127-40-4 3371179 2616726 S-adenosylhomocysteine (SAH) 1832.4 383.11431 979-92-0 439155 16788012 C00021 HMDB00939 sedoheptulose-7-phosphate 599.6 289.033 2646-35-7 616 596 C05382 HMDB01068 tartronate (hydroxymalonate) 610 118.99859 80-69-3 45 44 C02287 HMDB35227 thymidine 1963.7 241.08299 50-89-5 5789 5585 C00214 HMDB00273 UDP-glucuronate 588 579.02701 28053-08-9;63700-19-6 17473 16522 C00167 HMDB00935 urate 757.1 167.02106 69-93-2;120K5305 1175 C00366 HMDB00289 uridine 1457.6 243.06226 58-96-8 6029 5807 C00299 HMDB00296 uridine-2',3'-cyclic monophosphate 1090 305.01803 40632-52-8 439715 3824355 C02355 HMDB11640 xanthosine 1075 283.0684 146-80-5 64959 58484 C01762 HMDB00299 METABOLITES_END #END