#METABOLOMICS WORKBENCH mcammons_20210618_133904_mwtab.txt DATATRACK_ID:2700 STUDY_ID:ST001835 ANALYSIS_ID:AN002977 PROJECT_ID:PR001159 VERSION 1 CREATED_ON June 18, 2021, 3:41 pm #PROJECT PR:PROJECT_TITLE Use of Integrated Metabolomics, Transcriptomics, and Signal Protein Profile to PR:PROJECT_TITLE Characterize the Effector Function and Associated Metabotype of Polarized PR:PROJECT_TITLE Macrophage Phenotypes PR:PROJECT_TYPE Systems biology profiling of ex vivo human macrophage polarization PR:PROJECT_SUMMARY Macrophages (MΦs) display remarkable plasticity and the ability to activate PR:PROJECT_SUMMARY diverse responses to a host of intracellular and external stimuli. Despite PR:PROJECT_SUMMARY extensive characterization of M1 MΦs and a broad set of M2 MΦs, comprehensive PR:PROJECT_SUMMARY characterization of functional phenotype and associated metabotype driving this PR:PROJECT_SUMMARY diverse MΦ activation remains. Herein, we utilized an ex vivo model to produce PR:PROJECT_SUMMARY six MΦ functional phenotypes. Isolated CD14+ PBMCs were differentiated into PR:PROJECT_SUMMARY resting M0 MΦs, and then polarized into M1 (IFN-γ/LPS), M2a (IL-4/IL-13), M2b PR:PROJECT_SUMMARY (IC/LPS), M2c (IL-10), and M2d (IL-6/LIF) MΦs. The MΦs were profiled using a PR:PROJECT_SUMMARY bioanalyte matrix of four cell surface markers, ~50 secreted proteins, ~800 PR:PROJECT_SUMMARY expressed myeloid genes, and ~450 identified metabolites relative to M0 MΦs. PR:PROJECT_SUMMARY Signal protein and expressed gene profiles grouped the MΦs into inflammatory PR:PROJECT_SUMMARY (M1 and M2b) and wound resolution (M2a, M2c, and M2d) phenotypes; however, each PR:PROJECT_SUMMARY had a unique metabolic profile. While both M1 and M2b MΦs shared metabotype PR:PROJECT_SUMMARY profiles consistent with an inflammatory signature; key differences were PR:PROJECT_SUMMARY observed in the TCA cycle, FAO, and OXPHOS. Additionally, M2a, M2c, and M2d MΦs PR:PROJECT_SUMMARY all profiled as tissue repair MΦs; however, metabotype differences were PR:PROJECT_SUMMARY observed in multiple pathways including hexosamine, polyamine, and fatty acid PR:PROJECT_SUMMARY metabolism. These metabolic and other key functional distinctions suggest PR:PROJECT_SUMMARY phagocytic and proliferative functions for M2a MΦs, and angiogenesis and ECM PR:PROJECT_SUMMARY assembly capabilities for M2b, M2c, and M2d MΦs. By integrating metabolomics PR:PROJECT_SUMMARY into a systems analysis of MΦ phenotypes, we provide the most comprehensive map PR:PROJECT_SUMMARY of MΦ diversity to date, along with the global metabolic shifts that correlate PR:PROJECT_SUMMARY to MΦ functional plasticity in these phenotypes. PR:INSTITUTE new PR:DEPARTMENT Research PR:LABORATORY Ammons PR:LAST_NAME Ammons PR:FIRST_NAME Mary Cloud PR:ADDRESS Mail Stop 151, Bldg 117, 500 W. Fort St. Boise, Idaho 83702 PR:EMAIL MaryCloud.AmmonsAnderson@va.gov PR:PHONE 208-422-1219 PR:FUNDING_SOURCE NIGMS #STUDY ST:STUDY_TITLE Use of Integrated Metabolomics, Transcriptomics, and Signal Protein Profile to ST:STUDY_TITLE Characterize the Effector Function and Associated Metabotype of Polarized ST:STUDY_TITLE Macrophage Phenotypes ST:STUDY_SUMMARY Macrophages (MΦs) display remarkable plasticity and the ability to activate ST:STUDY_SUMMARY diverse responses to a host of intracellular and external stimuli. Despite ST:STUDY_SUMMARY extensive characterization of M1 MΦs and a broad set of M2 MΦs, comprehensive ST:STUDY_SUMMARY characterization of functional phenotype and associated metabotype driving this ST:STUDY_SUMMARY diverse MΦ activation remains. Herein, we utilized an ex vivo model to produce ST:STUDY_SUMMARY six MΦ functional phenotypes. Isolated CD14+ PBMCs were differentiated into ST:STUDY_SUMMARY resting M0 MΦs, and then polarized into M1 (IFN-γ/LPS), M2a (IL-4/IL-13), M2b ST:STUDY_SUMMARY (IC/LPS), M2c (IL-10), and M2d (IL-6/LIF) MΦs. The MΦs were profiled using a ST:STUDY_SUMMARY bioanalyte matrix of four cell surface markers, ~50 secreted proteins, ~800 ST:STUDY_SUMMARY expressed myeloid genes, and ~450 identified metabolites relative to M0 MΦs. ST:STUDY_SUMMARY Signal protein and expressed gene profiles grouped the MΦs into inflammatory ST:STUDY_SUMMARY (M1 and M2b) and wound resolution (M2a, M2c, and M2d) phenotypes; however, each ST:STUDY_SUMMARY had a unique metabolic profile. While both M1 and M2b MΦs shared metabotype ST:STUDY_SUMMARY profiles consistent with an inflammatory signature; key differences were ST:STUDY_SUMMARY observed in the TCA cycle, FAO, and OXPHOS. Additionally, M2a, M2c, and M2d MΦs ST:STUDY_SUMMARY all profiled as tissue repair MΦs; however, metabotype differences were ST:STUDY_SUMMARY observed in multiple pathways including hexosamine, polyamine, and fatty acid ST:STUDY_SUMMARY metabolism. These metabolic and other key functional distinctions suggest ST:STUDY_SUMMARY phagocytic and proliferative functions for M2a MΦs, and angiogenesis and ECM ST:STUDY_SUMMARY assembly capabilities for M2b, M2c, and M2d MΦs. By integrating metabolomics ST:STUDY_SUMMARY into a systems analysis of MΦ phenotypes, we provide the most comprehensive map ST:STUDY_SUMMARY of MΦ diversity to date, along with the global metabolic shifts that correlate ST:STUDY_SUMMARY to MΦ functional plasticity in these phenotypes. ST:INSTITUTE Idaho Veterans Research and Education Foundation ST:DEPARTMENT Research ST:LABORATORY Ammons ST:LAST_NAME Ammons ST:FIRST_NAME Mary Cloud ST:ADDRESS Mail Stop 151, Bldg 117, 500 W. Fort St. Boise, Idaho 83702 ST:EMAIL MaryCloud.AmmonsAnderson@va.gov ST:STUDY_TYPE Ex vivo macrophage polarization metabotyping ST:PHONE 208-422-1219 #SUBJECT SU:SUBJECT_TYPE Human SU:SUBJECT_SPECIES Homo sapiens SU:TAXONOMY_ID 9606 #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 - M0_016_092418 hours:24 | treatment:NT SUBJECT_SAMPLE_FACTORS - M1_016_092418 hours:24 | treatment:LPS_IFNG SUBJECT_SAMPLE_FACTORS - M2a_016_092418 hours:24 | treatment:IL4_IL13 SUBJECT_SAMPLE_FACTORS - M2b_016_092418 hours:24 | treatment:LPS_IC SUBJECT_SAMPLE_FACTORS - M2c_016_092418 hours:24 | treatment:IL10 SUBJECT_SAMPLE_FACTORS - M2d_016_092418 hours:24 | treatment:IL6_LIF SUBJECT_SAMPLE_FACTORS - M0_037_081418 hours:24 | treatment:NT SUBJECT_SAMPLE_FACTORS - M1_037_081418 hours:24 | treatment:LPS_IFNG SUBJECT_SAMPLE_FACTORS - M2a_037_081418 hours:24 | treatment:IL4_IL13 SUBJECT_SAMPLE_FACTORS - M2b_037_081418 hours:24 | treatment:LPS_IC SUBJECT_SAMPLE_FACTORS - M2c_037_081418 hours:24 | treatment:IL10 SUBJECT_SAMPLE_FACTORS - M2d_037_081418 hours:24 | treatment:IL6_LIF SUBJECT_SAMPLE_FACTORS - M0_038_081418 hours:24 | treatment:NT SUBJECT_SAMPLE_FACTORS - M1_038_081418 hours:24 | treatment:LPS_IFNG SUBJECT_SAMPLE_FACTORS - M2a_038_081418 hours:24 | treatment:IL4_IL13 SUBJECT_SAMPLE_FACTORS - M2b_038_081418 hours:24 | treatment:LPS_IC SUBJECT_SAMPLE_FACTORS - M2c_038_081418 hours:24 | treatment:IL10 SUBJECT_SAMPLE_FACTORS - M2d_038_081418 hours:24 | treatment:IL6_LIF SUBJECT_SAMPLE_FACTORS - M0_016_071218 hours:72 | treatment:NT SUBJECT_SAMPLE_FACTORS - M1_016_071218 hours:72 | treatment:LPS_IFNG SUBJECT_SAMPLE_FACTORS - M2a_016_071218 hours:72 | treatment:IL4_IL13 SUBJECT_SAMPLE_FACTORS - M2b_016_071218 hours:72 | treatment:LPS_IC SUBJECT_SAMPLE_FACTORS - M2c_016_071218 hours:72 | treatment:IL10 SUBJECT_SAMPLE_FACTORS - M2d_016_071218 hours:72 | treatment:IL6_LIF SUBJECT_SAMPLE_FACTORS - M0_017_062818 hours:72 | treatment:NT SUBJECT_SAMPLE_FACTORS - M1_017_062818 hours:72 | treatment:LPS_IFNG SUBJECT_SAMPLE_FACTORS - M2a_017_062818 hours:72 | treatment:IL4_IL13 SUBJECT_SAMPLE_FACTORS - M2b_017_062818 hours:72 | treatment:LPS_IC SUBJECT_SAMPLE_FACTORS - M2c_017_062818 hours:72 | treatment:IL10 SUBJECT_SAMPLE_FACTORS - M2d_017_062818 hours:72 | treatment:IL6_LIF SUBJECT_SAMPLE_FACTORS - M0_028_070518 hours:72 | treatment:NT SUBJECT_SAMPLE_FACTORS - M1_028_070518 hours:72 | treatment:LPS_IFNG SUBJECT_SAMPLE_FACTORS - M2a_028_070518 hours:72 | treatment:IL4_IL13 SUBJECT_SAMPLE_FACTORS - M2b_028_070518 hours:72 | treatment:LPS_IC SUBJECT_SAMPLE_FACTORS - M2c_028_070518 hours:72 | treatment:IL10 SUBJECT_SAMPLE_FACTORS - M2d_028_070518 hours:72 | treatment:IL6_LIF #COLLECTION CO:COLLECTION_SUMMARY CD14+ PBMCs were isolated from whole human blood, differentiated into CO:COLLECTION_SUMMARY macrophages with M-CSF, followed by polarization stimuli for 24-72hrs. Cells CO:COLLECTION_SUMMARY were counted, washed with PBS, and immediately frozen in liquid nitrogen. CO:SAMPLE_TYPE Blood (whole) #TREATMENT TR:TREATMENT_SUMMARY M0 macrophages were treated only with M-CSF; M1 macrophages were treated with TR:TREATMENT_SUMMARY LPS & IFN-gamma; M2a macrophages were treated with IL-4 & IL-13; M2b macrophages TR:TREATMENT_SUMMARY were treated with LPS & ICs; M2c macrophages were treated with IL-10; M2d TR:TREATMENT_SUMMARY macrophages were treated with IL-6 & LIF. Treatments course was 24hr or 72hr. #SAMPLEPREP SP:SAMPLEPREP_SUMMARY With the goal of creating a comprehensive snapshot of cellular function, SP:SAMPLEPREP_SUMMARY multiple experimental sample types were collected from each MΦ phenotype during SP:SAMPLEPREP_SUMMARY cell harvest to obtain transcriptomic, proteomic, and metabolomic data from each SP:SAMPLEPREP_SUMMARY experimental trial. At the desired time point, the cellular supernatant, SP:SAMPLEPREP_SUMMARY composed of cell culture media and any non-adherent cells, was removed from the SP:SAMPLEPREP_SUMMARY cell culture well and placed into falcon tubes on ice. One mL of ice-cold SP:SAMPLEPREP_SUMMARY phosphate buffered saline (PBS) was added to the adherent cell layers and then SP:SAMPLEPREP_SUMMARY removed to the tubes containing the cellular supernatant and the tubes SP:SAMPLEPREP_SUMMARY centrifuged at 2000 rpm for 8 minutes. The collected supernatant was stored at SP:SAMPLEPREP_SUMMARY -80° C until further analysis. Pelleted cells were flash-frozen in liquid SP:SAMPLEPREP_SUMMARY nitrogen and stored on ice, while the remaining adherent cells were quenched SP:SAMPLEPREP_SUMMARY with 350 µL of ice-cold 100% methanol (Honeywell; Muskegon, MI, USA) and 350 SP:SAMPLEPREP_SUMMARY µL of ice-cold ultrapure distilled water (Invitrogen; Grand Island NY, USA) and SP:SAMPLEPREP_SUMMARY removed through gentle cell scraping and added to the cell pellet fraction. SP:SAMPLEPREP_SUMMARY Following the addition of 700 µL of ice-cold chloroform (Acros Organics; Thermo SP:SAMPLEPREP_SUMMARY Fisher Scientific; Waltham, MA, USA), the collected cells were vortexed for 30 SP:SAMPLEPREP_SUMMARY seconds and were transferred to FastPrep® lysing matrix D tubes (MP SP:SAMPLEPREP_SUMMARY Biomedicals; Auckland, New Zealand). To achieve cell lysis, the tubes were SP:SAMPLEPREP_SUMMARY homogenized during two cycles of 40 s each at 4.0 m/s with a 90 s delay between SP:SAMPLEPREP_SUMMARY cycles utilizing the FastPrep-24™ 5G Homogenizer (MP Biomedicals; Auckland, SP:SAMPLEPREP_SUMMARY New Zealand). The homogenized samples were centrifuged at 16,000 x g for 5 SP:SAMPLEPREP_SUMMARY minutes at 4° C, and then placed immediately on ice. The polar (methanol/water) SP:SAMPLEPREP_SUMMARY layer and non-polar (chloroform) layers were subsequently transferred to 1.5 mL SP:SAMPLEPREP_SUMMARY protein low binding microcentrifuge tubes. These metabolite suspensions were SP:SAMPLEPREP_SUMMARY lyophilized overnight without heat on a Thermo Scientific™ Savant™ ISS110 SP:SAMPLEPREP_SUMMARY SpeedVac™ (Waltham, MA, USA) and stored at -80°C until the samples were SP:SAMPLEPREP_SUMMARY shipped to Metabolon for further analysis. The remaining interphase layer was SP:SAMPLEPREP_SUMMARY flash-frozen in liquid nitrogen and stored at -80°C until RNA extraction. #CHROMATOGRAPHY CH:CHROMATOGRAPHY_SUMMARY Low pH polar CH:CHROMATOGRAPHY_TYPE Reversed phase CH:INSTRUMENT_NAME Waters Acquity CH:COLUMN_NAME Waters Acquity BEH C18 (100 x 2mm, 1.7um) #ANALYSIS AN:ANALYSIS_TYPE MS #MS MS:INSTRUMENT_NAME Thermo Q Exactive Orbitrap MS:INSTRUMENT_TYPE Orbitrap MS:MS_TYPE Other MS:ION_MODE POSITIVE MS:MS_COMMENTS Proprietary analytical software for integration and peak picking #MS_METABOLITE_DATA MS_METABOLITE_DATA:UNITS raw area count MS_METABOLITE_DATA_START Samples M0_016_092418 M1_016_092418 M2a_016_092418 M2b_016_092418 M2c_016_092418 M2d_016_092418 M0_037_081418 M1_037_081418 M2a_037_081418 M2b_037_081418 M2c_037_081418 M2d_037_081418 M0_038_081418 M1_038_081418 M2a_038_081418 M2b_038_081418 M2c_038_081418 M2d_038_081418 M0_016_071218 M1_016_071218 M2a_016_071218 M2b_016_071218 M2c_016_071218 M2d_016_071218 M0_017_062818 M1_017_062818 M2a_017_062818 M2b_017_062818 M2c_017_062818 M2d_017_062818 M0_028_070518 M1_028_070518 M2a_028_070518 M2b_028_070518 M2c_028_070518 M2d_028_070518 Factors hours:24 | treatment:NT hours:24 | treatment:LPS_IFNG hours:24 | treatment:IL4_IL13 hours:24 | treatment:LPS_IC hours:24 | treatment:IL10 hours:24 | treatment:IL6_LIF hours:24 | treatment:NT hours:24 | treatment:LPS_IFNG hours:24 | treatment:IL4_IL13 hours:24 | treatment:LPS_IC hours:24 | treatment:IL10 hours:24 | treatment:IL6_LIF hours:24 | treatment:NT hours:24 | treatment:LPS_IFNG hours:24 | treatment:IL4_IL13 hours:24 | treatment:LPS_IC hours:24 | treatment:IL10 hours:24 | treatment:IL6_LIF hours:72 | treatment:NT hours:72 | treatment:LPS_IFNG hours:72 | treatment:IL4_IL13 hours:72 | treatment:LPS_IC hours:72 | treatment:IL10 hours:72 | treatment:IL6_LIF hours:72 | treatment:NT hours:72 | treatment:LPS_IFNG hours:72 | treatment:IL4_IL13 hours:72 | treatment:LPS_IC hours:72 | treatment:IL10 hours:72 | treatment:IL6_LIF hours:72 | treatment:NT hours:72 | treatment:LPS_IFNG hours:72 | treatment:IL4_IL13 hours:72 | treatment:LPS_IC hours:72 | treatment:IL10 hours:72 | treatment:IL6_LIF (2 or 3)-decenoate (10:1n7 or n8) 436641 550053 357182 177313 264170 174695 173924 284361 181488 182496 410553 494923 298046 316723 536337 261686 325020 201406 800741 714264 278266 352170 737334 196820 335756 (S)-3-hydroxybutyrylcarnitine 3565304 3600084 2084480 502554 1449714 802389 346316 250572 232862 112846 141253 876903 581543 665530 367601 555465 753664 6443729 5630438 3483973 209621 5113232 1410574 340058 535956 254127 3023759 5083548 1571009 664965 1693785 1,2-dilinoleoyl-GPC (18:2/18:2) 740834 5609735 1566361 1705306 1488239 1787953 9819478 17302768 7537410 2548787 2858967 5270566 22032816 24116502 16113147 17480376 25974146 14913403 1624410 2120279 1182188 263400 852913 1667456 1652891 904366 11027861 2380299 11014053 10497195 4383414 11205473 5276696 1512175 3824202 6742219 1,2-dioleoyl-GPC (18:1/18:1) 3592136 20399686 9460922 5172030 8775347 7712799 46684276 58455164 30040724 9137300 9733907 23158140 75970416 67227856 68996976 48179032 96496728 59371356 18061170 10704207 8810238 1341043 6093508 10486975 14803117 5600250 89658936 17679074 92365016 84142072 25034778 44999820 23359312 5707091 15986118 21991184 1,2-dioleoyl-GPE (18:1/18:1) 255868 2605250 703644 516557 765882 588382 7000581 8496403 4785602 932527 1217708 2883441 13798868 7664328 12654873 5772511 16608911 9260816 3030330 1135470 1370074 55262 692345 1352751 1581485 186743 9445410 2126484 10466120 12983877 5553480 4604067 3945161 757917 2926119 4874353 1,2-dipalmitoyl-GPC (16:0/16:0) 4791873 22589680 8366854 5490797 5934455 7456919 51868028 91800720 39723680 10508581 11224646 30113914 106951952 60764832 95770512 54674484 108257368 99475224 23857096 11320569 9407978 1295736 3652712 6947365 13244825 5091303 118835152 24706716 121470648 85513576 42381568 59886520 40371264 14690751 26863990 49984076 1,2-dipalmitoyl-GPE (16:0/16:0)* 402958 684058 233214 241076 1377692 391220 1130880 362341 1296296 1147118 768331 631474 472867 580787 347575 207593 261316 360670 1,5-anhydroglucitol (1,5-AG) 3304235 2682007 1512158 3094748 2543791 2784269 5067365 6723083 5606258 5499512 5543053 6449695 5335508 6241703 6162688 6577663 5790456 7606296 2365064 2865241 2445401 478931 2743393 1092981 1215194 1832157 5865536 5098362 4865897 7534483 8631803 11358776 4875136 790472 4454565 6441917 1-(1-enyl-palmitoyl)-2-arachidonoyl-GPE (P-16:0/20:4)* 2522964 16703442 5082524 3503660 5107020 4459373 57184524 77256704 29789176 11306956 10095341 20570500 80341352 79060272 65389640 59412772 76484120 53334812 17282478 12106744 7456426 1369685 7201413 10035358 8519537 4608396 45598764 22219236 56360288 54846456 24550342 45394984 16941076 4588647 16443473 21042848 1-(1-enyl-palmitoyl)-2-linoleoyl-GPC (P-16:0/18:2)* 300478 2748586 926912 717091 754148 717029 7283983 11070863 3862972 2015057 1632749 2900392 9823168 10267462 8330327 7173539 7647142 6545867 1677255 1769711 674041 141868 577520 1007032 1238165 1083974 8217431 3206290 8783362 7822116 3260596 6809140 1991233 1005145 2762368 2429608 1-(1-enyl-palmitoyl)-2-linoleoyl-GPE (P-16:0/18:2)* 1618161 405717 337660 226900 246647 5242256 9551931 2889872 1100821 815032 1752623 8173596 7920774 5869745 5283170 6184737 4822455 1811960 1372137 587886 474325 918599 662755 245991 4494843 2554165 5530607 5506416 3769714 6783218 2135540 882571 1883294 2509655 1-(1-enyl-palmitoyl)-2-oleoyl-GPC (P-16:0/18:1)* 1700065 452708 248991 5238139 6271979 2204999 990621 956561 1779673 6350453 6178885 5510571 4127369 5116123 4014369 1091289 594448 313911 617924 727119 5180896 1945472 5639556 4952877 2138354 3298090 901780 611179 1477716 1498459 1-(1-enyl-palmitoyl)-2-oleoyl-GPE (P-16:0/18:1)* 1492918 535504 439801 393040 402169 4822788 8476527 2720894 1107733 888375 1894126 7801679 8143398 6479351 5397844 6732650 4839153 1886464 1231838 666262 580543 961884 765115 296344 4490287 2244241 5694497 4834275 4248592 7053542 2576001 1180877 2727299 3045088 1-(1-enyl-palmitoyl)-2-palmitoleoyl-GPC (P-16:0/16:1)* 1523433 1717361 534444 208006 266321 1981009 1412655 1662280 1152582 1655586 1242325 876723 288972 793481 726234 271249 356759 191599 175678 1-(1-enyl-palmitoyl)-2-palmitoyl-GPC (P-16:0/16:0)* 108732 1422303 382823 274735 193038 3795949 6078749 2146734 1015380 741075 1715482 5246268 4700293 4773764 3361610 4386241 4343360 959560 561480 261224 110456 186251 564239 431488 5891367 2030674 7119640 4750114 3138571 3900527 2072672 802931 1892011 2775889 1-(1-enyl-palmitoyl)-GPE (P-16:0)* 765530 873187 389654 346620 227541 258833 722408 662770 666009 549427 616192 540723 570498 332367 703560 492753 274610 77580 112639 1-(1-enyl-stearoyl)-2-arachidonoyl-GPE (P-18:0/20:4)* 1023381 7470184 2223789 1440147 1981984 1734254 21503048 28989108 11385742 4082852 3649683 7272458 34502500 33364170 26864632 22851564 29714978 21417606 7598637 6501326 3751318 467749 3061587 5116725 5152528 2837174 35029296 12493515 36876352 30677870 8827257 21468210 7751616 1474462 5380792 8107481 1-(1-enyl-stearoyl)-2-oleoyl-GPE (P-18:0/18:1) 638682 1378358 2894653 865452 373291 2580240 2306206 1759131 1810704 2480575 1515342 686118 476365 142748 106604 2687653 1065448 2860750 2518695 796947 2115003 624613 350907 380637 1-arachidonoyl-GPE (20:4n6)* 166756 206200 260034 249018 138143 251163 873403 866624 682604 471005 478699 444560 1073680 436195 1857756 1324024 994380 1187300 107559 234223 118742 60901 280316 155030 816716 416842 949859 1329600 246793 663273 178509 125865 1-arachidonylglycerol (20:4) 516720 426303 413057 549331 646296 623868 1308169 1116987 758516 1201201 771575 697726 1142254 633823 1545807 1100801 1293431 1282471 250389 191452 199042 280660 357315 246864 684619 450713 1413098 1514155 383430 706167 232364 191110 1-carboxyethylisoleucine 94710 112751 67171 52914 1100046 755732 359702 668183 635340 575195 804502 531310 397247 421290 399639 2340012 2233929 2073510 363726 1038833 732567 206027 179487 905663 1557117 1226194 1203451 1253981 2372510 989551 295674 1269465 1545725 1-carboxyethylleucine 207679 283517 124756 214810 134853 44247 1495040 1649498 784572 715168 820596 1044016 1082717 1098250 910515 1071237 1540401 1037439 2464709 2652765 2337646 671550 1566874 1007133 333491 323307 1401483 2717347 1740348 2052903 2124327 3827001 1250929 384761 1588335 2545027 1-carboxyethylphenylalanine 76398 128303 83124 72562 30071 708871 664978 301593 359702 409734 402849 623021 514547 367264 546663 467157 430734 1389378 1512268 1520099 336919 939871 651312 172099 175461 712776 1448635 1046296 1088847 1335698 2558732 1018656 199282 1108599 1823804 1-carboxyethyltyrosine 235187 172541 70319 112622 134600 102056 175792 92624 92966 94864 125724 83111 603323 525632 597683 85726 337060 202455 36443 44576 216801 447228 375719 331298 443517 731500 338987 65043 336099 573431 1-carboxyethylvaline 62463 93720 896225 608421 294007 444512 477636 473894 664092 407244 331399 349275 471795 400176 1839200 1698970 1348014 296872 837789 481204 146598 151147 574922 1352955 865644 1025500 1066799 2127441 760424 187989 969062 1481939 1-dihomo-linolenylglycerol (20:3) 456899 224855 344874 239768 582039 1083070 629837 516385 551450 463091 555952 607849 563803 804454 631897 463165 1029660 271191 231528 571047 619084 772503 836410 659667 150385 155065 1-linoleoyl-2-arachidonoyl-GPC (18:2/20:4n6)* 1781413 667051 574575 583621 621874 5619796 6794083 3237242 2123216 1761462 2564474 9375865 7728169 7129249 6560341 8892083 6971950 844284 730152 456835 121592 647076 747906 741654 392655 3773693 2005934 3863316 4004655 1834970 2832922 1560626 685216 1461692 2117679 1-linoleoyl-GPC (18:2) 1007702 2137573 1113358 1035801 1561530 1981558 4260078 4771089 2642576 5134661 2734761 3444931 5307764 5244243 4113294 4503573 5536272 5848413 262770 179802 106052 173343 890050 3186483 1932301 3901682 3449499 491772 2277603 1043995 814321 723706 1-methyl-4-imidazoleacetate 103829 99297 70912 105453 116546 131404 181845 187495 95277 110221 189413 170460 184189 212962 124107 179441 262417 119357 201313 186221 123827 63136 120266 161528 83740 250822 119799 255583 84782 86463 127263 1-methyl-5-imidazoleacetate 299949 283373 132463 257838 231433 294597 302651 306908 396652 292377 280383 328717 270653 380887 417698 266195 387805 457580 83025 83012 164099 83690 54993 39362 320538 301462 333059 391233 1-methylhistidine 210899 195032 493364 308675 918652 354020 550953 279139 365817 592866 417699 454369 1464997 709451 985647 427223 465847 90695 824971 288861 1-methylnicotinamide 146877 1455607 1699535 279593 238209 323910 3340748 377583 1089647 543241 458028 338613 2459735 486149 2506562 1289510 615661 1870085 131209 221723 274474 3114958 225145 6140356 73368 391538 64653 1-myristoyl-2-arachidonoyl-GPC (14:0/20:4)* 829472 1028077 394348 133998 260569 1192308 999053 888369 828805 867398 831424 327395 240333 275920 423147 1-myristoyl-2-palmitoyl-GPC (14:0/16:0) 244619 1601575 571574 503478 407148 651941 6693473 11751494 5007407 1142751 1135755 3137155 12458465 7503302 11993561 6725923 10277226 10214024 2085092 931393 738374 99092 303713 541694 701788 292518 6847069 3076468 5776337 5552257 1542464 2073837 1450105 743125 747814 1611434 1-myristoylglycerol (14:0) 12890996 34214368 19159800 39350396 29091804 36014444 199605472 163500608 79472936 128764688 112890464 150243088 194352320 45210516 195270752 178925728 128064176 201446992 37964776 23060474 11698924 12025569 25753428 45058104 41557636 47427656 252744336 133090912 378679808 244207664 44253824 120804840 38412944 11166380 21444542 46076552 1-oleoyl-2-docosahexaenoyl-GPC (18:1/22:6)* 492909 1823384 2447607 1211327 486381 425335 854283 3615715 2454340 2560084 1971766 3308993 2239662 346572 113571 69816 239060 2116337 609929 2125661 1943363 526506 1218077 598201 147872 572592 759336 1-oleoyl-2-linoleoyl-GPC (18:1/18:2)* 4710614 28368818 10983044 7149192 9816875 8471615 60126000 80817640 37188928 13035801 14003986 28081046 107613816 97009872 96356664 76738480 167616560 81387424 19572040 15875944 10797909 1441523 7118946 15136220 17156652 6330590 103661736 17032714 104505728 110382160 29172214 82306040 35522852 5509486 15474447 30801532 1-oleoyl-2-linoleoyl-GPE (18:1/18:2)* 200327 2041461 407389 369997 454148 276809 5589913 6988251 3648051 675897 1017487 2445259 10966854 6921029 10585820 5858395 12325645 8261274 1519221 654466 807458 522912 823229 986777 190758 5899457 1681024 6628182 7835155 3805068 3469275 3344946 525048 2016718 3927561 1-oleoyl-GPC (18:1) 720338 1966511 881532 802675 1193903 1909616 5931641 6013971 3659588 5146180 3039460 4260872 7189378 7431841 6686808 6286855 7940957 8822088 256021 365340 104242 246951 367155 6127356 2683928 6941830 5989988 968469 3507357 288272 1070780 1538334 715208 1-oleoylglycerol (18:1) 140864576 22201246 18078264 49310908 30127596 26869698 92156568 54193856 41947680 88346624 207454960 57337044 55755476 43879636 61818096 54349776 53445268 56151064 142667088 27301092 14169540 21664536 22680548 53331028 27804544 101555816 45492776 38567920 50094948 44763360 22386976 171880832 80605928 14984041 57166192 137295120 1-palmitoleoyl-GPC* (16:1)* 75185 233303 125736 56073 193470 257141 861274 785928 518230 708960 428279 655693 1173341 1208271 999110 930184 1249960 1305685 412451 244540 485400 493830 85454 275538 1-palmitoyl-2-arachidonoyl-GPC (16:0/20:4n6) 3666554 22574076 8874753 7584581 9734302 10117977 71282144 87031008 40134300 27088392 21866560 31805834 94974720 77511232 80381776 64564976 94805440 76557352 9640037 7482290 5755734 2024046 5000316 8717144 6645193 4945304 46472196 18348952 48931652 51937164 12706335 23942492 12547792 7178070 11491731 15639817 1-palmitoyl-2-arachidonoyl-GPE (16:0/20:4)* 123162 1014176 383641 129246 352408 291491 6473390 5639898 3790882 783725 1068019 2306412 11180236 5149207 9402478 4359573 9826957 7454782 1486699 491487 848681 507493 850822 828619 5271953 1149370 5814221 6144888 1491869 1620231 1475895 113958 908115 1579782 1-palmitoyl-2-docosahexaenoyl-GPC (16:0/22:6) 874125 6104602 2298017 2280002 2526965 2773835 18849090 24687380 11543723 8822199 6722449 9916418 27195950 25379036 22918300 21739416 27528370 23472264 2063047 1449120 1102027 455216 749568 1540575 1636962 1185411 12794525 4493260 11398962 13494013 3194754 7930366 3382598 2395528 4023621 4293308 1-palmitoyl-2-docosahexaenoyl-GPE (16:0/22:6)* 596343 182760 181936 128594 1912888 1882492 1225844 424756 520764 1162050 4477939 2507336 3859909 2157639 4359269 3225585 339577 189834 228544 1687519 268953 1779233 2170069 196752 428068 366658 121328 421238 1-palmitoyl-2-linoleoyl-GPC (16:0/18:2) 9654041 68801624 25358980 22195458 26864266 25645028 155159968 238428512 88943424 54680592 44531328 80320048 241409328 225623104 206203520 196446064 251280704 197506016 26037560 21973232 14249983 4118098 9512218 19232404 19506376 13130253 130867960 44579296 132070128 145111616 33587072 90817936 34747648 18586916 33990132 42566024 1-palmitoyl-2-linoleoyl-GPE (16:0/18:2) 259791 1517446 456128 391039 483065 393374 4894823 6353797 3130917 1077225 1033516 2274261 8935349 5738961 8059749 5255718 9732598 7257400 1211185 606554 743458 472582 803342 761044 118473 4522646 1320232 5283799 6092440 2109147 1880137 1544622 592494 1542723 1953389 1-palmitoyl-2-oleoyl-GPC (16:0/18:1) 10907256 77464064 26787816 19324606 26945236 25715648 202249744 278707392 121538000 47599344 47940600 88463696 324234528 253397696 291107648 198827344 322925760 246141024 52097444 32198156 25794400 4930806 15462052 27806188 37709152 19010300 253523728 63300692 243759712 240638896 58003764 121706552 50897432 22200302 44166924 60313564 1-palmitoyl-2-oleoyl-GPE (16:0/18:1) 319025 3056565 757412 576339 834000 759855 11491466 16617130 7772468 2073118 2217721 5282885 21634876 13984505 18741778 9769232 21939582 16323071 3764072 1588274 1714080 1022010 1584090 2010371 437337 13283766 3407714 16020950 16994336 7248320 7085907 4337040 1664068 4193961 5309415 1-palmitoyl-2-palmitoleoyl-GPC (16:0/16:1)* 1154011 7189968 2747525 2000179 2525667 2449806 32710554 40837148 19180184 6458032 6449839 13740431 52330976 36429256 46591768 30946872 50709424 37434076 5800704 2858394 2818637 659661 1719189 2914461 3345534 1374542 22890200 7958091 21731932 23041554 5364412 8172918 4594201 2203185 3302285 5256714 1-palmitoyl-2-stearoyl-GPC (16:0/18:0) 969792 3927208 1474287 975767 879216 1099526 5510537 11286489 4584554 1314208 1266257 3110286 10277349 8558842 10114670 5750263 8639984 8245164 4290135 2610926 1694481 375373 623242 1237384 1994242 1259450 17267522 5520478 15913419 9895700 6671622 11111622 5589145 2563251 4240407 7131362 1-palmitoyl-GPC (16:0) 4431640 11854190 4780122 3674584 5652999 11612297 33209840 38937464 22123216 23549934 16816760 22122348 39083764 41092444 34860264 30854660 43327760 56183964 948998 2181917 641248 380586 467595 230446 710060 1732791 15830233 10880175 20945058 22461684 4479808 12560140 1283859 5186144 5978786 3044760 1-palmitoyl-GPE (16:0) 81712 130113 72146 106126 92797 122944 564398 458754 339184 305994 285496 300348 713738 187300 770084 460902 441523 625348 91706 76252 84412 65442 112489 118953 94333 82314 477637 259683 657967 639871 220064 182945 99111 92995 103157 110933 1-palmitoylglycerol (16:0) 414401600 1654153344 700939968 1789197312 1204401280 1958738816 8070776320 6016024064 3440724736 4877266432 4797456896 5484926464 7423622656 2062433792 7120937984 6803300864 4923175424 7810613248 1661235328 852849600 338373216 242485248 980562048 1339715456 1564960128 1648452224 6641821184 5187309568 11115945984 8183357952 1956998016 4139712512 1343441536 548824192 752815360 2419478784 1-ribosyl-imidazoleacetate* 111805 110504 96020 123022 219333 99901 69001 154598 152897 174310 230147 137872 114570 258398 259597 234872 228095 272167 112259 83525 75503 118854 309449 206839 485441 665722 252717 662924 151317 93335 328236 1-stearoyl-2-arachidonoyl-GPC (18:0/20:4) 1333497 10979719 3952252 3142306 4533558 4620531 35367092 40835152 17568228 13594796 10318193 14283451 44774848 36635336 34834920 34694536 42905664 38894476 4813530 3782919 2470957 838534 2152551 3808716 2938325 2846929 25696598 12638229 25222260 28164194 7804453 15301437 8488849 4021784 7854576 10795662 1-stearoyl-2-arachidonoyl-GPE (18:0/20:4) 1593180 7448654 3205256 1424024 2584189 2229273 37655768 37335256 19798908 4802088 5683700 12083074 55558244 35429448 46790204 26730618 49072052 36896956 10017016 4430824 4336597 412635 3144298 5791348 5720770 1813543 30059224 9532782 34046632 34054492 12816068 18513730 10900227 1770786 6842541 12386042 1-stearoyl-2-arachidonoyl-GPI (18:0/20:4) 7675973 7987080 2483053 192830 15419672 9198527 7447991 582166 2261795 757992 1670251 256933 2127447 1144743 435598 1-stearoyl-2-arachidonoyl-GPS (18:0/20:4) 3327002 2628669 661411 5832024 3984485 2521570 548539 1213881 325850 720641 749075 665872 1-stearoyl-2-docosahexaenoyl-GPC (18:0/22:6) 355696 2279876 922666 795580 1084754 1083551 7106320 9502971 4228720 3162469 2395501 3606835 10279279 8426640 8338101 7318425 9035673 8200309 914157 512740 433599 127298 235420 580968 636678 509348 5061961 2284074 4756299 5384457 1322083 3050153 1415466 943082 1724233 1958440 1-stearoyl-2-linoleoyl-GPC (18:0/18:2)* 4976644 36122928 12700181 10313199 11776787 12653671 69284776 106363544 39246912 25795040 21576864 30566818 107539672 84990416 88160128 70099984 84099264 81303976 15086210 14105195 7865031 2308252 6138127 11671642 10833392 9441823 69847200 30045132 72242952 76706616 22996740 70868552 22227988 11828064 22358314 33071046 1-stearoyl-2-linoleoyl-GPE (18:0/18:2)* 812893 5335703 1619490 1161650 1202730 1122021 14597732 19185700 9157557 2760961 2644397 5836148 28684830 18766936 23994776 14810804 25111226 20305346 4386669 2503486 2113629 448465 1853002 2358614 2754552 880316 17324160 5608018 21409960 20013062 9758810 12859514 7287315 2450711 5989017 8136756 1-stearoyl-2-linoleoyl-GPS (18:0/18:2) 144287 7390953 11075459 1873472 16846992 12885026 8153556 2256871 3623597 1072041 3574227 350847 4498364 3588393 1-stearoyl-2-oleoyl-GPC (18:0/18:1) 1712598 9939147 3685425 2377422 3329616 3581334 21811014 28861880 13363077 6291668 5415389 9844676 30262284 26804074 28098848 19763980 26979752 22641412 9240165 5837083 3898219 1149631 2553504 5044443 5470237 3900246 36198120 14744850 36005880 30767610 13851185 26673004 10775521 4658444 10093768 13141947 1-stearoyl-2-oleoyl-GPE (18:0/18:1) 627996 4534355 1612605 973170 1328136 1168890 13888011 21943308 9674615 2300763 2503941 6025692 20724004 16607547 19903820 11847619 20566712 15988182 6616876 2806248 2664836 486683 1966352 2434786 3091661 1258394 20139606 7387956 23591056 22793820 18406728 19945910 10531483 4036288 9734722 10350273 1-stearoyl-2-oleoyl-GPS (18:0/18:1) 658507 9445430 17349620 3419350 19383952 15991007 8824476 2695943 4232954 1471575 237690 6793239 1152398 9412703 5419484 3538904 1282156 255495 111721 151035 1-stearoyl-GPC (18:0) 1710527 4796722 1939507 1331054 2268790 4824632 11125050 15956309 8165785 9327165 6021065 8823117 15555965 14791229 13907402 12725230 17836816 24069428 550562 1010146 401817 935602 7031858 5586225 9479891 10507101 2119527 4861262 763112 2821260 2771470 1727866 1-stearoyl-GPE (18:0) 105306 105029 579799 779379 364041 359011 180760 455555 950698 546565 748759 524475 884585 765327 947720 381816 1097788 879869 552550 94981 168301 1-stearoyl-GPI (18:0) 725712 399037 297148 112801 50861 75694 475804 122894 313195 101593 69508 41207 212149 86516 225764 158538 106203 1-stearoylglycerol (18:0) 497291 102233 93569 217060 1071293 1659448 585672 427044 684206 859103 1416963 849834 995593 1094218 1498337 1488018 166475 1010910 806805 1940818 1128207 247314 331946 217478 162248 591199 2,3-dihydroxyisovalerate 473436 167214 213109 156755 231316 255884 295592 206451 339299 229735 247791 297914 174068 262644 237698 226382 295163 150962 324348 290841 315594 229059 51589 134300 177675 178278 194488 206463 118013 165709 2,6-dihydroxybenzoic acid 2790059 3549103 2281939 3039612 3309989 2872819 1916191 2577158 1902238 2764146 1861234 2254486 2412291 2101146 2405180 2171192 2336471 3296953 325394 259028 299339 174233 134763 301537 714245 743896 737918 1229375 3032849 4976105 1739521 334518 1814841 2703651 2-aminophenol sulfate 79554 69606 79041 82858 68936 19651 29774 20661 27610 36920 27900 48622 20948 46357 52392 81366 50296 2-hydroxy-3-methylvalerate 36661 94896 120021 50561 62383 93875 87188 83453 125473 127574 101122 123416 85513 179492 57015 262201 75227 413973 418133 88857 255272 108907 171227 2-hydroxyacetaminophen sulfate* 606474 439142 294489 617479 543959 450556 1631884 2235054 1946408 2980249 2041032 2303938 2072177 2294090 2219372 2297120 2084627 3488372 2-hydroxybutyrate/2-hydroxyisobutyrate 3745853 3380058 2103071 3702510 3933849 3355274 5494125 8509636 5830247 6017787 6188032 6586634 5993566 6031879 5842108 6598037 8386349 7444800 6143412 7236594 6760033 1182503 9843212 4216156 1617868 2068049 6329191 10433796 13078775 12587588 6651736 21183824 3147853 550800 5972350 8295729 2-hydroxyglutarate 651515 772243 468111 963990 501331 640793 1002778 1546942 1274800 369731 582745 463782 1060551 1635620 1438562 1105757 1417666 1196453 767858 1150817 916837 105189 512399 507712 623343 487810 879081 531158 1012909 1084996 383280 1049825 638947 205258 710492 2-hydroxyhippurate (salicylurate) 1593248 1294477 622005 1629458 1383505 1216976 4473835 6216052 4836401 6984359 5395845 6130435 5599840 6396982 5618669 5888077 5723507 9027109 2-methoxyacetaminophen glucuronide* 63023 44820 62804 39357 40648 158422 253567 218861 268412 206055 233218 255630 304960 287291 270573 257099 442263 2-methoxyacetaminophen sulfate* 196804 301317 240936 334227 213765 272764 259035 337778 272396 279761 272552 413078 2-methylbutyrylcarnitine (C5) 75302 104459 201773 503758 317737 169861 126784 224899 410217 513291 321867 253168 349785 382463 103026 378508 485914 170453 549163 254561 616886 709980 81293 318951 82639 155055 2-myristoylglycerol (14:0) 1129785 2847772 2107402 3326659 2898443 3449972 12776865 9504878 5928329 9314286 8539766 9338480 12979695 3027466 14245476 11473855 8399418 11692101 2961704 2183743 1455710 1852892 2444784 4153076 3866087 4651367 15912747 8299531 21475464 16836608 3511381 10236053 3366221 1353013 1956497 3198856 2-oxoarginine* 25538046 54485512 15676029 33343868 41721536 26517336 24037180 38515768 26493010 35800472 20018792 55950356 19172476 26678796 16030514 31379396 20073312 23026548 7957145 28931994 11251914 5621052 38106540 4666464 8047709 5610680 16785420 23169864 14790452 19698592 17040968 23397340 3224235 737377 7408496 3316845 2-palmitoyl-GPC* (16:0)* 52182 127074 128177 186574 113047 425600 1046625 643947 422376 829049 428481 464680 993320 262489 1218405 818629 623576 1367262 324038 164374 483825 530760 78024 598343 2-palmitoylglycerol (16:0) 36760636 192364640 78366640 149442320 119044128 230232288 612410816 378185536 266744528 346488448 353435424 448531360 522456032 142844080 731485952 583534336 287882368 634885312 184396416 77655016 30639864 38114968 113294792 120472848 161754016 180117104 729319744 513256128 1067711168 649380224 202391152 336710880 111219920 62618260 68095736 254544896 2R,3R-dihydroxybutyrate 1877325 1829664 1412639 1495116 1936476 1614159 3058973 3315210 2396671 4103403 1837719 1709106 3954672 1906415 3777571 2804475 2925295 3183715 1712891 1668129 2495258 943989 1922488 1737641 941780 930796 3014877 1496607 2341949 2602226 1729099 1863176 1807200 401653 2011001 2472818 2S,3R-dihydroxybutyrate 2722864 2557498 1934466 3359056 3220040 2674238 4339554 3469368 2548575 3993111 2399768 2260776 3893788 2443778 4014693 2764739 3117013 3663889 1300335 2113844 2387561 532257 2093567 1256502 870895 1013942 2232613 2122273 2872399 3806799 3287810 4445809 2395181 402308 1754191 2905262 3,4-dihydroxybutyrate 288280 459146 200008 175911 484975 984921 478408 401420 196180 508689 204217 219128 552361 227859 302773 201039 440829 358293 681267 891102 582866 631838 414938 374513 211426 275067 3-(4-hydroxyphenyl)lactate (HPLA) 1799121 2487783 800105 2110035 1261128 896894 3155307 8307116 6417892 2139794 1832046 2406616 5352061 9818104 8360447 6027462 4510283 4340711 6980738 18275878 18815960 2802809 9210108 5513412 1474242 2414721 9717482 8897215 7084269 6475986 5544992 20153080 7708150 781988 4541589 6145044 3-(methylthio)acetaminophen sulfate* 90532 3-(N-acetyl-L-cystein-S-yl) acetaminophen 29068 83668 63831 78276 72810 65308 50784 100334 78231 84341 67883 113299 3-amino-2-piperidone 747853 788539 363015 801555 792457 726645 748597 957555 699501 683367 571693 801553 612895 847927 745580 789783 860591 828598 1134810 896517 903411 288371 1199197 412647 188829 152712 188105 352634 329961 281235 168233 159656 3-aminoisobutyrate 466967 486480 349193 776536 554514 572646 907970 1248985 764631 951099 755880 682146 747825 1245825 820257 818737 762027 950523 619913 556697 804004 229426 890876 773680 210775 354332 743465 856793 574030 755852 520670 1357643 246093 238694 656553 3-carboxy-4-methyl-5-propyl-2-furanpropanoate (CMPF) 778175 631297 369949 767332 625297 583975 1203217 1887603 1275559 1657440 1712438 1676430 1776703 2039274 1802500 1828916 1688652 2478812 224138 503512 309439 112986 277123 179339 160176 241903 674099 613698 590171 990400 172623 346833 128272 109093 198772 3-formylindole 424095 894052 369426 680191 581855 522860 424871 895523 375475 652279 432861 655998 472095 712825 567890 783521 518471 600195 297658 392922 448501 309082 467293 248342 54467 212645 250874 298323 354952 420955 574360 291053 300143 318972 3-hydroxy-3-methylglutarate 3706078 7961477 2281269 6871393 3348825 2786378 3409287 13598836 5507858 2972522 2896082 3343673 4860521 15629723 7615345 10633253 5780429 5187699 5584034 16764904 8289585 688444 3059920 2506331 945672 3719542 8694509 5705161 5759386 5222359 4507611 14388354 4438254 1795021 5397598 3-hydroxybutyrate (BHBA) 795756 770468 508552 791327 494292 619768 720804 766015 670326 765926 603675 490258 1007248 1367078 346362 501216 311969 429543 245424 648028 699778 3-hydroxydecanoate 2631858 3284455 1751294 817618 1571454 690508 498746 727320 510173 332512 357019 451666 1323063 1206207 843918 945366 905594 862662 2856324 9542395 2744360 373976 2366578 2457045 989260 2324730 2520903 1739840 2132149 3124471 1505040 4305732 837089 159946 731073 893938 3-hydroxydecanoylcarnitine 778420 932724 458626 299098 492891 278692 220356 404501 221941 186841 205194 266786 387758 334846 354826 346903 353003 428246 790523 1898415 801280 543830 607195 81579 150601 251094 435730 360260 440173 1536204 436823 283603 542079 3-hydroxyhexanoate 332427 280403 175286 140553 161946 96193 160907 94308 116212 73044 142760 183858 183073 120762 117205 167040 143074 684427 1899811 675574 83494 702235 449422 180732 380952 563415 527814 564033 583043 215236 767999 136278 72927 191342 3-hydroxyhippurate 83007 82827 59261 71992 197467 253171 278490 201513 106667 3-hydroxyisobutyrate 604746 469748 242041 521006 440330 396200 437152 759195 675742 849700 713781 817365 663718 657261 705657 851111 564037 747463 1023051 832504 1297876 602927 251784 178740 611398 669780 1501218 581125 910625 347586 219233 478834 3-hydroxylaurate 1879833 2693819 1723285 883848 1052312 591103 604133 819016 565979 304619 467088 625252 1468030 1530306 880647 917368 928905 839780 1670955 4512680 1365583 508223 1128243 953790 834791 1563101 1743870 1810591 1550086 2028444 1101995 2038983 538567 258475 480785 527868 3-hydroxyoctanoate 1820975 1836106 895571 491210 750809 334670 259058 278718 221980 584224 427500 383358 382430 340740 247800 2544095 8272875 2430612 349615 2421020 2385062 788606 1795169 1809832 1133051 1919702 2362305 805789 3194620 453831 334168 501650 3-hydroxypyridine sulfate 812055 657589 365184 764596 736125 633620 1493117 2073105 1596643 1960814 1698370 1740371 1776259 1738425 1855438 1683516 1758112 2394625 1731637 2253872 2610184 444273 2117097 1071855 302958 369986 1308045 1204754 1186669 1798565 2106118 3128433 1340997 139045 1240908 1748904 3-indoxyl sulfate 1896044 1978435 1270154 1870505 1886255 1691007 867595 1157453 894074 1150613 996260 1076339 1123691 1244588 1111622 1147887 1151474 1461368 2607163 3201493 3408412 834047 3067591 1831316 468916 755872 1784644 1746572 1479857 2450089 1325625 2101665 893698 192532 985372 1480465 3-methyl-2-oxobutyrate 3679547 2624883 1900793 1693052 2979446 1701079 2887642 4307536 3574245 2230362 3844429 3278649 3252863 3961769 3003656 4650345 6387101 5746501 411548 3689539 1114847 889562 543574 1394723 493298 2080151 3933736 456880 3083477 422145 382439 999519 3-methyl-2-oxovalerate 25825598 17025148 12997566 12873286 20585484 10760646 15570968 20775404 19705620 14628008 22100472 19989424 21801350 21059308 20020758 26393952 34434252 30957172 3009796 19084578 9458348 594822 5406257 3743316 4103745 9161320 9029664 1916725 25920460 54428736 2747606 17592334 3722330 2737597 6999441 3-methylglutaconate 59106 59018 44158 35064 54278 88994 68513 75557 86953 109510 48259 97836 106692 74765 83580 116177 42872 45010 59883 190650 99329 125161 209041 94223 240473 42175 101130 3-methylhistidine 6409246 4790792 1802220 5733222 5809421 5134397 9262775 14068038 10726199 11261211 10752408 13120643 10985565 12331733 11170828 10729810 11296427 14456465 4442197 7166308 6307127 307347 4844770 2393683 353135 1126710 3969321 5208406 6214677 10072525 2059830 4861700 1398318 868383 1485650 3-phosphoglycerate 3751034 1843038 2429819 3111045 1204300 1097364 12943007 5289552 6255887 2125721 3383187 5231279 13545498 4429743 10041232 7464065 6507760 9174037 786263 213284 2022607 84225 460775 2723360 1485114 675088 2514479 261532 2079962 4219868 544082 293676 284726 304050 368150 3-sulfo-L-alanine 55044 116513 77448 53739 110207 61103 73763 57280 94625 81354 100561 69672 59372 143580 40285 51362 57501 75269 67180 67748 3-ureidopropionate 166301 386116 460294 76055 312729 294171 284318 1825707 2136597 408284 1166298 1562890 249467 1470478 1687093 238897 1080861 1805507 138242 3954256 7338965 2490006 2711810 98530 1295187 3680900 652798 1979741 4849050 363736 4859031 3013179 996105 3286107 4-acetamidobenzoate 17444272 13718668 8252200 13091383 13640848 7587240 20058406 27548660 21921728 14502839 20798900 23282266 22613786 25085686 24052614 24245364 23159932 23529802 19288716 22369452 24948854 6297063 20182740 12489323 4651314 6387823 20729840 18273318 21729980 25636192 19886680 31283442 14078754 2377638 13097211 18194602 4-acetamidobutanoate 160873 139573 422054 545632 480714 153860 235638 269471 310728 250785 410663 443945 553575 138118 265475 370371 195223 539062 215285 4-acetamidophenol 5166805 8267336 5625249 5922126 6448905 5922715 18575576 29759480 17899338 23031370 19772430 23337434 24701300 30440646 24452816 25390932 28910168 38499716 299782 287790 246519 456010 4-acetamidophenylglucuronide 597431 564674 344011 646229 573459 592324 1790740 2360379 1862665 2700631 1959225 2441541 2105469 2489752 2637619 2564971 2218242 3842132 57529 41885 42328 25527 4-acetaminophen sulfate 2103084 1785388 1014158 2071548 1927281 1638790 6006903 8070479 6624553 9049744 7145072 7235555 7269949 8040847 7612733 7526642 7482600 11024156 58258 72611 88588 75324 32868 4-guanidinobutanoate 20495604 23960894 8640999 15262223 14642806 10792012 13833039 24225548 13113788 6152132 7986295 13564297 13799909 17870336 11400960 11066767 14401927 11241415 21845176 44089240 18598436 1591180 14002720 8511331 10246163 9734900 16480452 13338462 15982902 20189148 13019181 48031072 8213169 426728 4706220 10894152 4-hydroxyphenylpyruvate 735200 1086622 501568 962793 1050424 655137 655902 2579673 1051008 734243 625784 1416853 1124500 2734636 1689864 1827480 1205084 1173184 1331515 5318187 3014144 901097 1776351 926703 116023 234645 608192 772188 659447 640386 1032380 5723673 1271027 155557 817790 1587627 4-imidazoleacetate 974071 754460 415971 608414 854459 722069 1364679 1858137 1441298 821065 1412126 1347883 1218708 1549426 1269979 1177221 1426697 1337473 2004381 2158241 2289321 353423 1788206 1171600 650476 693457 1911914 1606262 2394375 2778144 1367319 2295730 1042359 98046 606566 1349864 4-methyl-2-oxopentanoate 23995704 17050706 11768525 12346369 19592952 11357352 14242709 19574052 17683556 14278778 21200088 19512036 20090608 19380078 17607576 24946952 32365544 28523720 2389971 15703924 7039604 797589 4312827 3098188 3640649 8863915 7251976 1924787 24114434 49999920 2354365 14346063 3163156 2608158 5785180 4-methylbenzenesulfonate 1114754 1177603 671496 1143435 1052521 999326 3430430 4821561 3511039 5300943 4145432 4426263 4414274 4652693 4398877 4554831 4519769 6934291 86436 99322 90001 90609 48461 63164 81431 199795 187434 151459 180248 181492 156567 47077 28363 90239 94672 4-methylcatechol sulfate 181439 222565 138244 202915 219486 172013 219952 356561 216631 343602 265168 352786 299717 327923 295584 318654 337072 438725 115895 150370 122399 134489 68054 35226 56690 170443 161147 137919 251471 189845 355243 147713 159982 203712 4-quinolinecarboxylic acid 2296943 1866253 1033182 2018216 2129404 1582288 2149472 3177871 2482853 1926989 2952835 2833870 2628276 3143029 2681383 2733300 2715088 2925569 2607895 3494675 3690815 793736 2666393 1693624 666922 935531 3078857 3042044 3229121 4529536 3401932 5786664 2458993 347307 2057675 3198084 4-vinylphenol sulfate 803671 1248817 740769 872231 939763 898322 88378 145200 103125 143865 125207 130418 118740 136981 119456 153171 156640 153012 33568 31481 167883 250032 484601 466123 416105 715659 820821 1469017 599589 177449 737614 882400 5,6-dihydrothymine 96855 104616 41891 83951 151155 101212 122625 100112 138674 186154 62898 61945 63501 84928 55323 91782 116374 101407 54768 5,6-dihydrouracil 86156 46989 172166 474073 238651 147732 121579 126070 309076 271762 202374 151739 147347 124199 371997 341600 391784 115055 283459 173673 41893 109643 249524 281300 186294 187067 330540 598562 184752 172528 261186 5,6-dihydrouridine 155852 170206 102351 149057 158326 146913 212559 326893 189130 212531 225631 257626 247411 344396 367212 346293 327905 454201 454586 329259 388050 58707 451840 190389 96163 114425 289980 252502 319569 397007 360440 573413 239071 172708 307629 5-(galactosylhydroxy)-L-lysine 425828 582971 231556 398176 213704 273618 218200 223003 329249 249667 237980 371887 250622 526951 321020 306148 345817 348691 250255 770372 102831 233493 297346 542886 1076406 807521 364423 693777 628097 138228 233170 530491 5-aminovalerate 1050228 1077065 779982 1402390 1802287 1392876 1653413 682515 876020 2536772 1219399 1209962 1588345 1746417 6218216 1112664 724430 598734 5883556 2622475 490196 5-dodecenoate (12:1n7) 1870778 1726280 1822112 1471101 1599054 1511901 6856476 12796992 7398543 2172600 3914632 4778450 17732300 20076328 14885296 10307145 13766630 9742880 1527127 2984428 1442351 343729 908957 843123 1798682 2986508 5009774 4588065 3031481 4353803 1491364 2347056 725931 789593 752940 5-dodecenoylcarnitine (C12:1) 349594 418385 614785 205610 420971 341178 755616 1461421 607066 291828 354756 494236 1871013 2036812 1571991 1258349 1582540 1530098 224345 1089953 177471 58656 153011 142343 186797 587443 386730 363718 325260 528967 106553 1746326 50605 136773 135558 5-methylthioadenosine (MTA) 9508410 9347414 5679482 5419988 6931517 5528643 16685628 19227696 26290988 7577095 10574582 23091364 19891806 14782072 28006068 15248895 22871652 26284742 18293410 3359511 13253048 313406 21558776 5548206 6703419 1393490 31946664 14036893 26486412 26418096 5256037 4757208 4829275 120421 1041770 3996311 5-oxoproline 175899040 145854768 94090040 153610640 171556480 134486992 567010176 676339136 582800704 510285440 634242816 638305344 614055040 639033472 634763008 632734592 645345024 631909376 302733920 323420224 381022816 80939152 305054272 164192688 63747364 89618528 230183520 221725472 229243536 302680384 250438400 373098624 156205264 31540358 140135808 222891952 5alpha-androstan-3beta,17beta-diol disulfate 94840 90963 87219 54531 38455 69495 165210 125666 116540 127848 131027 114468 138256 103609 134783 99898 209796 26382 70123 165753 422114 410200 401875 630476 76168 131650 47502 6-phosphogluconate 321629 32527 153527 49210 127422 198639 730015 472019 481035 7-methylguanine 128483 220829 636200 1133447 585939 361325 1005797 1275408 1050013 928210 1042771 930741 707647 1571913 1513280 1199718 608657 280072 175011 1295980 838045 1547239 1583435 1242111 2686053 704937 513175 948175 acetylcarnitine (C2) 69134232 64890072 37127272 18389356 37491408 24457908 30661844 34821808 27505404 18440504 19859036 25039432 55815548 41369180 44331972 28788216 45854660 55214440 114418352 162087904 141657824 5551093 183480752 40593520 1000733 714034 8584630 23388672 27334296 30511270 121451656 123947936 114287440 2792250 35726708 108485648 acetylphosphate 195637 275398 223630 280097 134688 82725 1528941 570068 467945 299847 266775 1259557 359240 665775 562906 719634 918747 436653 470851 694744 307619 221326 596678 585000 693842 110808 146900 178899 aconitate [cis or trans] 2316430 1809755 1275645 1461553 1878151 1407772 3994123 3717682 3221514 2546468 2450875 3310875 6767053 4957057 5937087 3812432 8037125 9324490 6574933 4298605 8776252 1848593 9468349 4990875 3989804 2944165 12785326 7471593 18774056 24130566 23936960 24042112 17813110 1213115 13996721 24726566 adenine 2272123 2054973 869209 1209419 1549352 1856220 4016704 3412883 3651603 1516886 3083830 2690104 3753902 3456797 5153337 2664645 4149688 3918624 2267400 1658828 2152694 337444 1829076 930316 4876996 1300153 11776672 14762857 8085946 8920436 1237143 956269 633334 705413 2725311 adenosine 11489278 20732830 6343333 26997824 6266615 4691174 10709164 15272450 13815908 7018511 10954980 17100952 15369655 19992512 22726952 21293548 27880308 30792912 71652656 40660288 42767760 618296 11711815 52511124 15205969 10741784 15197226 90986912 15798386 18345468 1810065 11421149 5936021 600622 5903242 adenosine 3',5'-cyclic monophosphate (cAMP) 57387 44654 109752 97615 313521 240598 110306 67182 617042 424396 68221 212869 176582 63933 ADP 1390086 1219725 910393 666204 814429 313717 402107 383148 750877 984231 1444044 334322 829305 888103 227070 821977 1126043 3230252 1819846 1336139 959219 1139970 440974 AMP 17850594 40485180 12479146 21533958 11794348 11151324 39631856 71906400 51715320 17795034 31484300 52300024 24352492 61570088 70612800 40683520 66745120 56100784 115429032 145833072 229984432 366072 12517921 85287576 28227836 27643452 92903736 19569162 61815568 45463632 5275312 56734336 17823674 185629 1502152 33919120 AICA ribonucleotide 382407 182777 174173 645940 371395 368141 120727 544092 256802 464551 388935 86570 407698 203237 137840 193922 790960 alanine 163160144 154199312 80408768 141634448 133895608 120794216 313909184 400013120 308484512 310149632 324507392 300537248 305164608 350835584 312465696 335864864 312519264 359053472 290633536 428499584 386307232 103437384 291278368 171571008 63820896 129121072 249400320 290104960 264933296 320968160 304759424 563007424 226053952 47836128 189145360 255078560 allantoin 1103093 988630 627428 950586 963892 905089 1029242 1505906 1108943 1123749 1362502 1527501 1184389 1101816 1409372 1031784 1564272 1632588 2198351 3143015 2965462 452963 2065945 1138322 328761 508551 1214511 1049749 1168838 1618162 2312805 2637102 990941 103631 589377 1247369 alpha-hydroxyisocaproate 39257 88188 66124 129690 122387 103619 123762 211340 113356 121383 165703 149231 218674 163803 252138 327295 192500 129755 71695 297366 60672 608801 327832 146218 421108 171551 225870 alpha-hydroxyisovalerate 1974443 1800311 1094281 1999071 1932518 1835183 2834058 3741071 2892750 3545520 2981472 3356138 3445069 3243872 3687452 3478569 3231091 4349157 1845133 2322458 2947067 486596 2135888 1217200 919968 821078 3878845 2288184 4304632 5160724 2506629 4463820 1979139 1334005 2618927 alpha-ketoglutaramate* 18073820 42217380 14135984 26928368 40738440 20022204 16866926 18057284 14264686 26463074 18232324 37464068 11693140 13792059 8763960 22419032 13953163 14736543 5200744 18776344 8123014 1870435 7376810 3548750 7371731 3720293 12769026 7325411 11142905 14537329 3285186 12984601 1910869 2561190 3283285 alpha-ketoglutarate 27616986 26825000 12922198 18030096 18298330 16124016 93698584 77591240 67021420 97597824 88784624 54535296 77386224 61982316 60674800 55134504 55593484 74137120 6358224 30001758 28123788 3215434 26810372 4641196 4630622 11485557 49242656 13236844 46581240 87164400 22112240 24653048 17463744 135600 6849048 12013241 alpha-tocopherol 644056 7198199 1153875 1804123 2170029 2422623 31170574 40473068 11425100 6649918 5304956 9383920 25616044 33044656 27288606 27296302 38995032 24242820 4663360 2773990 1579123 439896 2070189 3611166 2216210 1597699 18428216 6989542 16480857 18513900 5496649 15105356 4786388 998091 4109776 5779335 androstenediol (3beta,17beta) disulfate (1) 994649 765520 433499 868767 709052 694457 1524131 2267942 1684583 1895381 1965921 1935925 1730693 1930001 1789458 1876238 1721687 2567889 350351 526619 550991 51878 338443 148635 945616 1546847 4004931 3598989 3516833 5046356 501706 702901 319446 29997 213879 388901 androstenediol (3beta,17beta) disulfate (2) 295515 233897 80706 271647 217467 176269 178493 279420 217859 227667 261377 263397 236182 311687 220704 278316 258422 325665 83799 63627 95974 141414 436752 430469 359010 708888 99808 185726 92443 androstenediol (3beta,17beta) monosulfate (1) 95186 106103 41394 67491 87390 69293 164852 204296 146455 201566 170089 194002 175367 212206 169449 203345 188020 216806 62145 130632 261730 204135 159045 284699 47200 46637 42921 androsterone sulfate 436457 779396 525274 449448 526140 597206 664061 934261 610057 647214 654116 712280 1037371 1238416 847163 847463 1022898 891392 146718 86739 265357 461313 841453 755875 792755 1023476 262086 317392 135467 112976 170970 137625 arabitol/xylitol 153608 114787 54864 155063 148872 102524 174077 313310 234088 182224 193600 237466 384119 283279 375741 271793 347576 393831 488565 456902 808386 440420 300169 119299 100447 794439 325924 637838 777195 740967 1116264 607318 351082 675465 arabonate/xylonate 10737179 7388337 4887941 9651089 11082230 6430444 3232066 4037855 4418399 4383390 3929164 7018826 4361639 4354814 3436471 4320887 3768605 4948880 1925471 2745834 2990461 270523 1465298 732345 619717 938460 3439886 2182228 2443332 5206623 3221463 5475415 2067066 168628 1266427 2137588 arginine 3937004032 3534121984 2509594368 3637707264 3906138880 3399183616 4295485440 4900719104 4437615104 4054029312 4602488320 4544164352 4492503552 4629690880 4569532928 4549068288 4498096640 4596966400 4107873024 4505577984 4565159936 1768974080 4291927296 3005467136 1387771520 2171739904 3820349184 3728202496 3972760832 4478544896 4275898368 5030784000 3101001984 730859840 2996028160 3777735936 argininosuccinate 194502 344805 94963 109214 134377 75738 1329580 577666 497185 140959 174383 240440 615428 321185 469913 228564 274486 362064 448647 497326 667754 343939 157582 122590 84868 1247022 251218 421590 528160 542506 740003 609657 315590 759949 asparagine 939707584 748192384 484077952 827780288 892722432 726481472 1178412032 1590817152 1208047488 1095360896 1367206528 1259930624 1268403328 1407934080 1289887616 1305410560 1250787968 1293368576 832025024 1000727360 1127388288 319561440 1009884352 540808384 170399296 318000960 771008128 874481408 891316608 1050116288 826151680 1202825984 568993024 126270576 555169408 809399360 aspartate 297800288 155736096 162884672 276238592 185176400 272018400 279702848 320387776 248829040 395784576 334030720 246882432 188541376 275077664 311841664 190884000 166606896 214967424 232030592 277284928 175387248 34261368 133305144 67334712 77519312 94615472 188515440 124722232 130849592 168504784 230634224 333698144 111352000 15369668 70887512 117718896 azelate (nonanedioate; C9) 441263 285462 221847 294558 299702 377869 789364 733931 705731 652065 726060 704647 422065 450210 542171 458729 524169 531929 1651532 1446757 2045162 329588 1219072 1055070 387826 318693 925238 1440010 876638 1235243 2799017 975128 579702 160791 429838 699349 behenoyl sphingomyelin (d18:1/22:0)* 2314250 7694512 2138166 1834609 1926868 2836277 8839837 18070878 5015081 6755550 2141441 5452506 15260014 12353393 11405274 10367234 16885882 16973272 2326531 1804338 989870 265269 321288 762719 667686 9991360 4771984 17296680 13246272 5873858 7325758 3102835 2593538 3732206 4842937 benzoate 2716571 2075518 1300358 2412141 2353784 2394024 2535168 2707051 2642439 2118246 2721099 2498219 3206967 2544344 2767578 3698968 2914533 2274731 796776 1220317 937366 774401 611326 7178474 5147243 10601820 14916037 21422746 12551821 1560913 1137311 783550 beta-alanine 5561923 5180951 2727483 4624231 4228603 3568283 11931434 9523803 8491490 5239896 7637248 6166573 12362101 8073583 9369261 7384563 12840779 12031797 14570272 16067074 11484036 1163519 6218724 6128197 5586055 3748662 11468667 5076602 9446166 13887087 3565038 10923811 4531756 189146 1524881 5181201 beta-citrylglutamate 1137871 1260335 460116 666220 653097 476992 1421706 2930926 1533628 557299 876680 1487072 2905668 4867196 2808922 2929839 3411882 3433385 3283511 4754031 2995186 101296 2686153 1016674 1893539 2106447 4271513 2785522 5585393 6694164 1299028 4049494 815996 325740 1067843 beta-hydroxyisovalerate 1111692 639436 410797 624341 588282 580535 1374530 1346810 881988 872054 643964 1263535 933516 1173089 930902 1076105 1120496 1422493 1362728 2665351 2381172 359670 4362747 762655 1097338 1009419 4337632 3391736 4704526 5597826 1919894 2695100 862166 540757 1423991 betaine 121276720 119989120 75460024 112734104 115411744 112379232 124761920 194748480 170529664 130969648 125541448 132465616 131542440 170937600 165559072 132404440 131014856 174075568 142589664 274209376 390146848 32332332 132023280 82864264 45556432 120495592 311483488 130502816 148107488 201994784 159035872 337997120 187214576 16712440 86890728 133358592 betonicine 361792 347811 117390 404472 296796 313052 685148 1013102 915182 1521940 847288 1222516 1377450 1049481 1096822 732987 1016584 1248033 801237 1191877 711523 329129 557074 bilirubin (E,E)* 1051558 916543 555452 922953 932362 1004022 604220 583797 704424 941935 645136 548142 1010247 699787 989926 1019732 884466 1387146 212383 394571 931404 610050 676757 878386 99114 bilirubin 380582 507635 262485 351843 375570 356329 462711 699876 359872 354185 255649 380327 806429 681576 611594 784568 601912 759168 221174 493533 1603717 650637 1152458 1736433 984948 185568 151075 379013 biotin 4356969 3505478 1992067 3739404 3878926 3520125 4690858 5866810 4577854 3766718 5170307 5073315 5091450 5505275 4721703 4329825 5254916 5142344 3037796 4111376 4481231 1083905 3405381 2269865 900531 1496094 3451334 3522724 3830716 4854260 3118483 4992750 2081687 349316 1883369 2849603 branched-chain, straight-chain, or cyclopropyl 10:1 fatty acid (1)* 221068 361782 143462 99603 204704 545297 708965 296775 420923 989993 303896 351443 346311 860161 801227 671458 804046 butyrate (4:0) 508493 503832 350985 400064 529643 643308 783281 585934 623125 361631 717361 744897 585807 780434 863395 811243 678984 690755 1087804 3293509 2958263 3284083 3677735 butyrylcarnitine (C4) 4557731 2536791 3058943 522291 3012822 2086195 1877567 1261730 1440387 897872 885354 8197479 5528349 7343687 5667774 10267485 13119717 4460414 4027581 2769359 1258762 783700 3082225 10281010 23579316 6402962 15158099 25033366 3062229 18421584 3920429 1293542 3544360 C-glycosyltryptophan 355902 430103 176651 754838 306950 250051 780801 901356 851011 289918 522892 605672 953698 1068444 1016721 717535 1145182 1284379 511741 497199 484431 621243 175097 276568 240453 587484 1403167 926022 1222394 706421 511876 323327 142487 569677 caprate (10:0) 10814256 10502134 6676650 8561548 9065213 8516776 27637060 48210344 27000096 17581392 22632248 26250334 63417800 73895272 53355976 43690636 58067816 44127248 8343152 8125926 6475258 5543262 6085256 7509938 14170596 13807210 30889732 29819668 28938670 24111540 8768632 8586413 5607206 3544463 4649295 5445310 caproate (6:0) 1249533 1034013 584459 1013812 1200259 1033218 2063161 3999828 1864520 1420090 2044279 1819171 4210829 6692624 3247462 4808872 4715367 4659223 1112014 1360561 4804858 4356811 3042157 3804759 caprylate (8:0) 3147916 4197016 1419406 2784910 2341535 2717339 6663721 14230603 6663165 5881696 5310716 7279928 18365530 24670064 11922864 15749012 16208750 15239130 1076944 1539613 1197492 1028225 4286929 4999570 10292195 12567887 7973727 9971481 1681538 1802871 926975 carnitine 72786552 59895168 40159628 59544024 68308792 72261712 85858736 64637240 76608848 86248240 88261696 93379336 60850008 57179776 63679964 56676020 73126800 90157616 58432940 71789680 96929296 17284148 59478936 41646024 78937088 71837576 188536480 113712552 141414768 197609872 56863956 71966704 43951124 10172785 34611824 51022060 carotene diol (1) 173044 704049 1050562 445887 214867 187143 282418 1009440 1272626 956390 815076 1155277 744970 89871 411498 121576 349063 487670 393533 981973 326998 249567 402893 catechol sulfate 1044511 1028480 652426 1051705 1091084 957229 1408278 1923539 1337685 1920847 1623734 1828741 1752640 1813369 1841195 1823921 1838087 2379164 1176051 1575188 1736143 299809 1541681 737562 248692 385920 1182868 1030715 914394 1547638 3872489 6438418 2394287 413239 2628883 3620890 ceramide (d18:1/14:0, d16:1/16:0)* 451690 1530274 2388271 540970 241909 211162 430478 1413568 2473949 1174636 1678004 1509536 1098333 1032616 654216 114378 55144 536451 403562 113789 941013 1988175 948842 680115 1077292 846045 106566 202845 559967 180099 ceramide (d18:2/24:1, d18:1/24:2)* 1115544 272570 65047 4062469 5834048 1921181 513893 571256 1113864 3524384 5861060 3316682 3163444 3600143 2890895 2144393 1015885 310304 1023865 1503639 328782 275286 3411187 4897723 6300119 3549133 9413461 9825777 2460392 2529484 7261329 3635514 cholesterol 616511 5931532 2045329 1796433 2176249 2039209 15448767 20152332 7379926 4853453 3788978 6466807 20740772 20741040 16165170 16823476 22098732 14586798 3786633 3021412 1482272 748136 1793801 3369138 2283497 1407420 12206490 4962752 12789051 13483568 3775839 10083230 3584934 1193037 3423343 4361496 choline 417763488 506599264 246166400 439764320 354504672 295255200 412294688 898853120 523566528 418533216 350218400 391714560 641098688 807060288 579006976 716876608 474022560 598385472 970585344 1024951552 1089681280 184853536 642121920 547483200 328293888 321016896 857852544 613424960 793350848 1000809600 772057984 1226402432 621277376 82931856 384456768 766996288 phosphocholine 153192704 105700392 98307208 93511064 98400464 88667840 326061952 408704384 410652256 187344160 216949984 282923712 450330688 348859712 489816064 347344096 456751872 473940256 64236344 58764840 40940168 6399714 100163248 19417988 65541596 55409228 155546160 39355504 67734016 163262432 68062800 35134384 67979344 3321890 30637942 39855856 cis-4-decenoate (10:1n6)* 1047515 860764 663122 514659 666792 526699 2138036 4094906 1996820 730281 1469919 1970700 9238465 10047353 5131512 6047434 10372961 6107186 559054 526559 148341 312616 1285577 2283882 3400596 1882561 2211112 3380139 558636 1438169 281793 190860 193101 cis-4-decenoylcarnitine (C10:1) 1194086 663541 976820 461954 1094759 563159 1068466 1720716 1028654 949738 961389 1024265 2059586 2685818 1972216 2153476 2072871 2183288 889482 2739793 1384009 309262 744913 1168313 444118 873443 1292657 897805 1099454 1640778 751061 3028789 866514 380665 539548 794546 citrate 54310892 40050884 28464652 25654824 37695556 28381328 81678072 77686896 76762912 38208148 54574744 77350152 143563264 104948048 126337176 81330936 160559280 178576112 54786572 45327356 76487592 6232723 49352700 40895288 54026492 40109840 120577880 26814754 144242272 205615568 166109104 144690608 145821568 6065301 79058992 171101872 citrulline 15992690 15430794 9260445 16453959 15072643 17052108 15155514 19572476 15570614 15947745 17527260 14358011 15133382 16965752 17015608 16513084 15778930 20137346 15747807 16522822 16371703 5910043 19887604 9793572 5603454 6289744 13290616 12378867 12386907 18396868 21716884 27914716 14887098 4469094 12551553 16753601 CoA-glutathione* 62267 126001 130494 177394 105880 300245 235942 371130 172376 222065 269425 102493 36709 366241 81269 93862 creatine 158763328 215021872 73325448 151567744 120656504 124718192 247293600 401416480 221835040 167378736 156331488 193926560 300136096 392250048 232094560 238698048 268801536 277672800 233545392 355937216 240835936 29385664 188317088 115935304 55856256 73309344 144879456 77604128 105692176 179662224 80543120 158970080 97177032 7363649 33997400 134620000 creatine phosphate 96312 301607 67394 146984 51070 50109 138526 429696 179189 121227 28330 111640 239362 559945 358509 418730 161150 233488 22487 144581 458272 113735 52421 creatinine 86835672 78657136 42694368 82399296 78602312 79061176 88622640 123294600 98789552 96968248 100304680 102975872 98251632 118818216 104713112 103156960 108213904 137319424 78423520 99341000 110272208 21903288 90864176 50839848 24940904 33748148 89310176 86929824 87953264 130121712 81169880 126305264 51548072 7507312 43597088 69957168 cysteine 26661628 36192112 13652213 31150846 26987606 23930132 36626456 30554038 15789361 8459002 7237988 14405291 45074368 48023192 56060640 37498828 17938044 14833344 20956516 31827880 27372642 2106569 10183396 10938864 3832394 6812317 12014127 10323343 5735945 7696417 2680997 22893020 5836047 265733 1919648 11281442 cysteine-glutathione disulfide 117066568 82493408 43632512 80270112 75396080 71367480 126070880 180391648 232311280 59640784 75922384 121140096 212359904 183541184 306550016 144256624 196709456 244276784 102874240 127987704 81431952 833540 54690912 27692540 34754600 47744724 146530000 71831464 102391824 133335648 36028184 114836456 47839376 122174 2373268 47006144 cysteinylglycine 1541816 1602349 791341 1808875 1362755 1144732 6127347 2251795 1293596 296466 262673 585541 4028997 3617965 2876354 2243844 1089190 1197628 11584344 13600772 12638590 1240999 6610210 3959337 348717 571958 1380565 1802315 893459 918363 2550379 14538795 3209534 64880 1526032 6284596 cysteinylglycine disulfide* 8305218 2867899 4895036 8310838 10482935 11423583 18605460 5201821 14959470 8859746 5477465 13293563 11272047 2708861 4914048 3139523 6488932 9910529 9400913 11705341 14449248 4436718 19097020 6364886 324332 78894 1875740 511334 2189740 1711142 31023676 22779460 11359063 2140244 17382770 16971922 cystine 15670102 11094989 6890323 14742107 16808274 11573483 23288060 23397840 18203530 19778668 30575880 19050932 17209784 18137400 15411368 16764677 19125166 18059276 11929082 16747540 16601611 4958654 21020552 8573034 2400095 4709699 13982343 18585776 18237148 25099142 23361300 26060502 11402865 1698808 14122899 16629435 cytidine 343278 320956 90133 156115 177351 138488 1090599 1324033 1064248 650806 985282 822853 1055334 1272771 1162696 1055164 1343868 1656468 1181153 1170517 1022208 152236 1880856 1158873 244910 317908 539826 666869 759861 1068243 1860501 587205 385992 212910 874540 398450 CDP-choline 200651 388257 10556144 360185 2186789 17803684 1093760 193538 274946 1277795 6444937 438979 2199041 821899 CMP 1189877 1479342 904271 815792 911644 799920 4366315 3482489 6360581 1419661 2237928 3740292 4619512 3868126 5645585 3605703 5193836 4927628 1942095 1714597 3086546 985183 1926780 1510410 689961 3244810 542973 3945536 3010027 788683 1224775 641751 188089 934937 cytidine diphosphate 1023239 490568 557254 393234 704000 547659 526945 418246 995355 330707 409685 804766 842448 653870 1864483 758565 1318062 1241873 75185 226949 185919 681186 157011 1238425 1403429 1251971 184972 429727 312526 cytidine triphosphate 1224197 296461 611866 344395 770761 715736 181909 74628 260476 88538 41232 176019 486458 300266 1006117 307164 677224 470215 30538 439138 166726 280773 297174 257800 313093 135591 CDP-ethanolamine 48095 49923 20416 87609 51037 117868 44451 78405 220418 112254 224182 82777 177082 166996 838995 75308 432788 1269935 221233 60463 360033 52487 378037 306688 535718 270539 113884 66617 242580 cytosine 88998 884546 483445 62758 304596 1369099 233964 158458 56781 392577 1972885 281020 746633 216340 185028 106763 966437 130054 52305 158421 54846 912076 491424 992958 decanoylcarnitine (C10) 2116742 2178597 1705782 1310752 2009181 1480274 3606410 7873344 3601808 1566570 1989380 3083882 9274778 10875959 7760172 8355366 7813151 7162994 1210361 4715555 1361205 788791 1057805 1190258 476765 1606949 2244160 3822264 1670398 2475982 818676 7076482 811112 247692 648367 842900 dehydroepiandrosterone sulfate (DHEA-S) 826865 1512798 980981 943014 919391 1131057 1545881 2199127 1315564 1357443 1294263 1583071 2070486 2440208 1757025 1714513 2038867 1988014 130098 294551 152286 71874 119260 119066 630904 1334348 2466356 2202764 2003742 3106982 419213 674742 272534 181637 291271 269474 delta-tocopherol 232682 293292 116547 119050 85020 264916 163480 296592 179017 275048 180065 88213 323583 129044 283165 212114 185704 78981 deoxycarnitine 5054276 5191643 2651853 4005751 3904248 3917627 5345322 10097938 6455337 3769441 4103490 5060262 5437463 8787581 5935522 5650393 5453050 7093551 10333876 26525304 15369192 1093125 8639879 4573311 2131380 6846322 9908402 4410435 6923881 10630886 4225575 17238464 4166015 429076 2018210 3764941 deoxycholate 113295 67944 109835 59977 81957 200866 172746 227645 319418 diglycerol 3907795 3206615 1617226 3324487 3565194 4795941 5329195 5942759 4655940 5436121 5063223 5083461 4371063 4536403 4353971 4226164 4935148 5379172 3451815 2769373 4152507 2071891 5473287 2658294 1643812 1838503 9217922 7009160 10151578 6896934 11801100 6031567 5320840 944523 2464451 4095858 dihydroxyacetone phosphate (DHAP) 432732 625626 184259 232274 204822 142591 3693021 4607889 2358803 918039 1159440 2093198 4848929 3543114 2979735 1919522 2714908 2631930 1040041 1983838 2607346 138859 854885 1277200 313029 3976083 3610253 4265100 160505 2687976 1444315 1227416 dimethylarginine (ADMA + SDMA) 4869764 4143813 2138360 4110454 4224242 3291283 9889461 14483317 10845284 6192761 7980129 8362300 15726001 15031352 16532814 13274264 15168387 15865096 16781476 18039088 23000546 1808059 15598042 8731376 4197078 5094039 19257928 10439554 18042938 21937636 17472246 26621716 11577218 8005287 14858533 dimethylglycine 1863297 1463433 991425 1609096 1546634 1752017 1943596 2591398 1761908 2098485 2283575 2143193 2072123 2243397 2145785 2319339 2196698 2547282 1982798 2152761 1964193 607811 2005516 1292563 496540 873592 1721188 2169366 2178488 3033892 2117658 3347473 1420204 1178373 1796495 docosahexaenoate (DHA; 22:6n3) 139339 177996 166756 193475 233065 234508 4586973 1063854 1771280 1645206 1385125 1289392 2518125 1490925 5335339 1277041 1661752 1843160 74070 57921 63156 90068 722577 83389 320129 556551 69616 129239 70045 69562 dodecadienoate (12:2)* 424200 496058 418873 220876 360594 200265 473913 572890 488574 268582 311551 475720 969925 1323318 796413 754221 1049276 804584 386189 1322006 517794 321371 264959 449067 1290154 1277477 385090 691481 1537696 560376 1118760 284403 301555 250234 dodecanedioate (C12) 239860 110806 204786 113461 104288 117178 159050 139817 172306 281192 234198 125277 153622 168974 218888 238611 278435 251198 162425 157447 115943 171409 396741 297061 317658 270560 242529 203656 126335 eicosapentaenoate (EPA; 20:5n3) 419513 452026 343537 473631 453441 418355 4010692 1777223 2052508 1559142 1546478 1547103 2341714 2431807 3449275 1660039 2763976 2092388 235966 159144 260951 272470 337212 265975 308034 283854 485942 274834 980087 1129839 248245 270072 313242 213358 264852 239390 epiandrosterone sulfate 292051 225400 195543 193610 210999 284282 380084 245166 197116 124943 315124 360783 400096 312753 297070 359303 308632 113604 276041 279143 235918 341278 157166 ergothioneine 118339 231567 137622 118900 177036 73865 513484 1110041 589256 469612 163377 330119 1710628 1462177 1615227 904316 705295 1410511 146551 594274 325337 75870 197907 684557 1246927 451550 583023 999290 408645 2907786 908458 206926 653975 erythronate* 73920104 57189704 30976666 66123624 80095688 55540312 46706572 53544544 44389720 38441648 40579760 57804480 72409720 50824852 51457296 53203124 66483292 82201936 48931756 43234072 52231932 6521647 37130008 22340256 19898352 14834329 56159756 31190104 68072024 100133816 43826240 82877880 26556062 2345855 20859728 37771924 ethyl alpha-glucopyranoside 53379 45301 50295 73396 39262 45536 48918 41210 62262 42325 98716 39674 91369 37045 143391 29853 74863 73579 94517 51235 54239 Fibrinopeptide B (1-11) 311930 204503 81008 289158 242516 192905 150649 180785 165652 183305 232801 203091 166506 259728 144076 197417 160490 280342 93909 FAD 138490 134499 91971 60695 56761 187222 268165 190729 45847 76467 150387 282420 292426 332100 217193 228365 255394 401091 350165 421509 278599 118003 74833 42662 272199 101650 194390 310333 296377 418985 193610 214366 folate 2803003 2274196 1494669 2244591 2012615 1964291 2167880 2880581 2599021 2225084 2717777 3279844 2556972 3297057 3764648 3516326 2749400 3392731 1889527 2049996 2663379 573296 2009745 1026307 583601 976086 2603082 2406395 1878273 2553115 1989250 3201077 1142619 176378 901488 1349716 fructose 4487526 3935563 2686418 4830464 7278221 5199757 2858857 3026064 4389305 5395649 7337562 7440694 1802254 2309944 2420828 2428421 1901231 2625945 669919 1067118 1207126 575559 846530 381574 369555 1323907 1178321 643298 1052514 2358704 677914 579600 445938 70334 337920 478641 Isobar: hexose diphosphates 4920423 2917650 2316316 2344682 3147166 1674749 1870418 2808215 2426777 1258909 1632688 2167942 3246415 2944155 3548990 2856026 3556276 3260640 1454044 1562374 1977238 1380456 4611637 1065971 5256695 159044 5229470 10768316 340551 639147 336978 fructosyllysine 113200592 94781440 43999752 92719368 81916416 52493868 57280028 59306640 137749456 194113040 143278320 302592352 43516640 29106470 24732464 75635464 71602224 77789064 2958343 16698156 7371447 137587 585384 350423 2481046 20931772 9297003 4324043 10178676 36291532 536732 8211375 278314 55464 423688 618461 fumarate 3226514 4285601 1945750 2571982 2256775 1739239 8883583 9335894 7564565 2455229 3150479 5261472 10308506 7524608 11915050 5875901 7986368 8690816 6062568 7190699 11730475 504097 4439513 3808094 8148811 8035203 31764384 22373496 29169584 31881180 5230868 8899150 6701903 227107 2641970 7306193 gamma-glutamyl-alpha-lysine 408026 304770 109506 239429 318935 2105823 1063929 932298 672944 627987 681846 748364 572090 599544 456047 538523 703937 396497 590110 578971 407230 224593 139809 221227 626319 505139 559850 1085598 345419 417553 184388 114630 199100 gamma-glutamyl-epsilon-lysine 998320 1694477 784618 898898 832007 1458391 729756 253183 245788 166543 218863 215517 326873 341700 277124 270155 337445 382133 417035 506673 306158 661220 256055 389823 385409 1426051 846977 722062 668927 338808 710518 778823 203739 481875 gamma-glutamylalanine 330729 256402 178311 391894 407252 377787 2121094 1276764 1005083 422621 523452 842212 491150 656504 540503 354007 453056 494163 903420 457447 277467 332003 618258 982652 762026 1153221 792336 736759 476148 307399 411958 119207 gamma-glutamylglutamate 669771 789474 570112 372811 501744 27127034 2475871 2999616 1609719 1549396 1107937 2648972 1050784 715991 519319 577829 693914 458520 533399 295814 135061 121963 125486 252231 177985 133760 630794 128883 198179 gamma-glutamylglutamine 27785106 22261388 11831084 24314374 21896836 17112980 61941840 56182512 47932624 33015906 39311880 40631160 46720648 41632832 39692360 38456684 37067968 41181584 35256108 60925672 51175864 4533318 26069436 19806582 25728748 28109320 42216684 61819472 45084248 99767952 19307632 39095164 16879508 1049816 7789777 1892024 gamma-glutamylhistidine 99105 49708 96917 295417 153568 188526 122434 117852 141115 170921 148990 132701 162323 162108 166769 173921 205763 169621 69274 210251 200292 160603 202991 154568 192818 102689 96078 gamma-glutamylisoleucine* 341166 272434 245543 234430 218729 842247 754644 551440 325838 482690 461807 428582 529378 389463 377185 379139 430027 660386 770726 898676 62900 490935 368044 174418 260979 649531 574306 493362 918655 477966 817785 427586 163165 461584 gamma-glutamylleucine 436239 388815 397126 357883 443330 1841152 1013931 933708 640292 637166 706012 824618 601711 665049 524258 637343 697945 792762 979617 1048220 832322 244618 222125 774438 653554 661245 1161089 454044 797579 298871 174639 444203 gamma-glutamylmethionine 822858 718577 337522 591545 596205 574007 3140356 2677664 2790421 1310910 1450993 1989275 2004802 1477711 2031963 1282893 1298640 1478729 896621 1503195 1394295 653354 389986 510598 977397 2009955 2053818 1509631 3236217 772118 1435228 577827 241104 gamma-glutamylphenylalanine 28929 27638 178392 88734 58667 55062 66027 78461 73911 49946 50477 64033 46500 81630 84024 35102 76999 84904 78284 128869 44721 95914 23676 gamma-glutamylthreonine 238978 382246 445517 253676 271710 884767 977549 452406 512218 693998 600577 448940 517880 495689 332286 487942 617108 375099 408710 407087 321241 77340 88947 336978 387812 484213 762206 373763 575934 201969 326908 gamma-glutamyltyrosine 66589 67040 68074 661439 404933 409772 214360 219907 171451 342359 280776 333960 176967 197818 296226 163616 214398 236134 191509 98792 271101 262030 278841 563541 132095 304337 94955 gamma-glutamylvaline 1687217 966615 740389 1370253 1678621 1157423 1350844 1694493 1178330 861301 1262007 1225907 1042711 1572713 1047835 1031900 1355808 1260967 1882653 2316722 2477415 523199 1883308 993833 273017 485545 1302519 1383193 1437944 2073399 1301545 2066950 780802 111149 584433 1086077 gamma-tocopherol/beta-tocopherol 137512 1729484 260275 362416 476174 596810 5791683 7647440 2387985 1514943 1262528 2665036 5227343 6482759 5185624 4940828 7344829 5258847 1097980 622769 307383 438978 865872 685842 694985 5803266 2100593 4795113 5177202 1140927 3786192 1136671 268017 781978 1178063 gluconate 3156980 2374712 1287822 2944801 3780818 2090557 11840248 4346704 4213024 4662112 4860190 5105348 3875620 3505171 3131108 3889416 3218857 3576237 1910758 2944119 3338386 358932 1804683 857814 391242 804567 2744644 1827608 2308444 3754953 2503598 3890113 1690492 76983 1061608 1900376 glucosamine-6-phosphate 111515 118145 41301 70014 71982 61932 130843 59317 37604 98275 84555 50997 102572 385550 106684 860019 662122 504033 glucose 803929856 532101920 430735424 733316736 816759552 718890624 811380416 863096832 866744576 875984512 1210200576 912470528 625135104 731175040 687144256 714246592 658266304 680305216 32542536 373569632 74705392 3457243 2308875 3704867 35456532 233756880 109638520 27186802 77960120 338093600 3097538 151908592 1649897 2152564 2693828 3443771 glucuronate 387969 313720 202920 482634 440379 276081 782913 938545 809293 1093017 960058 799833 1004094 885131 1092717 902576 868947 1312999 319378 470805 608752 139426 473068 231014 99777 163385 667078 316782 473978 615118 1122045 1002851 792765 653455 972810 glutamate 890473152 704572288 454820384 725165952 486479040 612776448 1360413312 1292340352 1098080128 1000779072 983255168 826247424 1081944064 1078433920 1078007552 764485760 597155392 806860800 475766848 487631392 388676160 46772972 185131600 130095200 143969472 228202208 540267264 142684752 193260000 381575456 100036592 217356048 255874896 10272060 58905000 230805632 glutamate, gamma-methyl ester 5921771 8578880 3896865 5488319 4081608 3935574 9790337 16595357 11743262 4632356 1781402 10326826 14514392 11624514 14507250 10496752 13516074 16324340 52865784 57759584 88480872 3324853 34076512 25389658 210974 993533 647570 3041379 2895891 20133808 127438608 55010936 1565744 19367272 80955368 glutamine 3593468416 3088176640 1729604352 3129942016 3564886528 2690749696 3034291712 4236740096 3027736320 2733740544 3758518784 3535733760 3418541056 4026981120 3347116288 3972173824 3750274048 3958023424 4342304256 5415679488 5465775104 1412279936 5036348416 2543252480 735850752 1252185728 3114251520 3370872576 3561533440 4358045696 3308089344 5288951296 1915997696 384764384 2029189760 2979397120 glutarate (C5-DC) 500312 389251 157274 486624 530750 472575 592807 504094 436742 486298 445910 917989 432142 340809 498710 441705 457020 649741 591964 516369 555407 178375 366721 249745 212818 218327 553902 696768 800571 765727 777543 550843 282605 261473 glutathione, oxidized (GSSG) 9239758 9348415 3928003 5931390 4947331 5875910 3984563 4013791 8895178 1902210 1751559 4544883 9928948 6499249 15348661 5245558 6207960 7776641 7035830 3990844 2297941 187061 2330063 799344 7236403 5650100 16359006 4971135 2495568 4557598 1289601 2200786 2090862 1674175 glycerate 11551122 9869928 5102685 10624862 11423165 8920277 9046516 11347847 8905956 9927634 7879628 12016032 10990725 11076972 11445771 12493256 9622416 12702936 8584511 9102204 10926033 3624482 13298638 4154291 3478256 4490066 15912690 16979788 13646065 17482812 17791136 15985804 5642666 1454606 9168711 7910526 glycerol 1438632 1169349 798920 1107509 1054733 1449123 2466495 2528623 2421081 3123058 2761915 3747769 2681682 1718316 2058057 1698357 1951168 2568629 3630512 1070259 2959030 852538 2140256 1005923 707235 616167 4240904 2951036 4201193 2645301 4470799 2306864 2509007 528137 1302255 2039233 glycerol 3-phosphate 601814 553861 415119 2208457 466768 522524 2340531 945477 1096299 854168 701163 926013 1958229 951104 1936675 938083 1359006 1650440 8411982 1508341 10570492 561263 2143784 5398107 12998014 705698 30829932 5152638 30316360 15727730 5543963 8179334 14454622 227668 1760819 11394115 glycerophosphoethanolamine 367230 401414 174160 599193 207911 197064 2764771 1744213 954287 1623743 937320 730257 2299422 2277354 1850612 1546114 1213347 1322507 3150260 1403832 4474157 670980 6368424 1237518 1368874 546768 5249243 3514869 5402337 4110011 3755589 2055569 2789506 68393 1264753 3308222 glycerophosphoglycerol 324574 297595 159555 223060 265416 170574 1423379 911345 1014578 556935 633821 803004 1626730 801130 1602485 738496 1109385 1168454 1306400 735305 1471700 247052 3637538 387641 158849 53723 915293 2858033 616088 747065 2331726 664132 512535 516638 704038 glycerophosphoinositol* 355811 2338971 373840 1519258 453485 330165 629801 3787641 601743 1406913 288176 430487 884942 2889112 1293092 2109978 708218 725267 557992 1827792 715247 1046800 4688895 173964 311835 1770585 1120324 3388095 574341 657959 1282450 1500437 419017 64152 478801 482025 glycerophosphorylcholine (GPC) 123014680 110114400 79530800 131328496 88989912 92534288 476461120 312865312 320419072 472189376 481809568 398491168 342680704 274632384 304317824 237628816 273523328 328266720 244505136 228295776 343644384 79166992 323206816 158738960 182258736 124863776 466577696 285654464 443452416 422372928 271358176 216595680 269864512 21543244 169964656 335190432 glycerophosphoserine* 123029 1601916 645085 182246 116922 792750 2973957 526420 2205514 595701 449086 1085531 4459738 982130 4337129 1484682 1285304 341676 926535 272850 864686 1988947 145319 333183 742149 695483 4003327 776390 873222 609431 518280 83621 292891 147437 glycine 55862084 42230604 25888584 46833228 47719552 38900948 133666008 169893520 125155576 92963520 123147368 117101808 130354920 145338448 127434752 121381584 132349456 135230640 104914392 122581656 122649944 22617406 105801176 56517352 20911374 32517880 88774872 97637320 103720192 128093760 111162592 172368848 71159064 8760584 57502528 100017296 glycochenodeoxycholate 82533 123811 60435 56542 115047 207330 71516 82304 89085 116286 90374 273686 125289 116458 149780 231217 81869 72505 55847 36317 73543 108596 365341 284578 357749 524361 90694 147683 46654 58929 glycocholenate sulfate* 122584 72608 94302 84402 134701 208545 158235 148302 191898 100418 192605 133227 131897 166701 217832 46459 98912 104999 94175 172227 60996 84997 glycosyl-N-palmitoyl-sphingosine (d18:1/16:0) 743711 1585511 4600653 677161 1019716 543246 741899 1197512 3173645 1033851 2868365 2271090 1282387 291466 664484 763900 1334520 1518219 1939534 1190547 307309 2734374 185453 426995 glycylleucine 487647 403387 130919 594594 541540 576846 386307 275065 383309 349397 320195 329709 407996 265965 368090 334340 498079 385990 707246 501507 938697 1463946 288563 336654 223833 glycylvaline 1147923 925760 381761 790185 675979 973326 271008 600967 620301 295635 486545 565960 710112 803075 794718 838945 781155 970247 1168212 957021 1277291 280721 1303714 500801 63574 173400 97699 73735 1191332 1708050 503013 301666 606596 guaiacol sulfate 103756 102769 61157 91038 124036 98227 166793 200162 144405 206032 184947 221798 160342 203964 212497 213068 220659 281555 126522 154181 202458 127763 87757 31729 38739 161381 111784 111208 195371 311818 497426 253550 234105 350444 guanidinoacetate 2601741 2451864 2185947 2429609 2419363 2237718 4721731 2803917 6010937 2910070 2890809 3962220 4288741 3385150 7255812 3937880 6136336 6963610 5078060 2772807 4488086 1374477 4086972 4976433 7294994 6462790 9773571 5012975 14410073 9746085 15942726 8114667 21262614 1779887 15371396 13894325 guanine 60536 694309 41449 26974038 20820458 12595282 5876561 8316896 7871898 32866754 24141776 13417582 11127134 9138573 7290449 35717784 40936952 39825216 1715502 25853676 6961156 307727 1849116 549791 4302339 478150 10464437 8705925 1754910 382160 3676977 4251610 guanosine 589867 748106 338244 1223226 372571 128170 2690887 1039618 1212808 1312650 1375422 1026112 2056518 1396888 1350207 1444651 1230991 1422171 4808484 3594075 3873076 244300 2294414 1762293 1018822 453013 1092635 4055313 710712 660055 2211801 669725 422205 50842 667447 749106 guanosine 5'- diphosphate (GDP) 745635 1179585 517493 954603 397454 421432 360799 422282 263765 436796 298330 443415 264582 904026 397810 787032 758670 252240 439928 48752 5'- GMP 1273428 3144889 794896 1615257 844877 746548 9660556 7786900 7153839 2182421 3217023 4445359 6036583 5062714 6352849 4733772 5624822 5277776 14554051 13599406 16617525 206514 6367183 7635085 2978309 1496390 7880595 2204066 5574537 3730701 6260975 3725532 1735784 1011651 4060862 gulonate* 822630 841506 445949 973266 700288 614231 588158 638566 795210 669909 516409 707706 1265160 893164 1161441 1150840 853449 1150441 857714 740648 3975753 800654 655831 377173 168730 6058242 537231 2272436 2228953 965856 1704292 3164124 167810 3043747 hexanoylcarnitine (C6) 4247849 2907786 3197556 922126 3741976 3172348 3417284 3907021 3106470 1150962 1894117 3312154 9953991 10339180 9897872 8615669 14637226 14610576 2338094 6139811 2492616 392487 1140518 1065071 319420 538356 1744358 1221726 1438380 1707639 1174875 11892448 1602828 669369 1548403 hippurate 3372048 2696513 1548544 3333875 3066334 2817433 2354152 3462703 2603942 3481856 2906874 2793784 2759948 3383700 3018371 3040445 3016980 4409748 1206260 1731844 2024578 351421 1380391 802166 319928 422335 1422564 1198628 1248101 1920152 2392228 3920988 1632837 278219 1402062 2101477 histidine 36527388 28254808 18288716 29549938 28822066 27203960 34370848 41268588 31251420 30149982 36392452 28213440 35085692 43120264 36792084 34102792 38850184 38517284 33022212 41777388 36317020 15418207 34231612 20187186 7515489 15637700 19185592 29981960 24989004 29642022 40364072 58806344 25930644 6138197 30050812 32745720 homoarginine 1815157 1573383 692411 1357572 1448070 1445404 2816129 3369250 3131209 2415581 2986186 3078133 3622321 3926064 4170313 3052212 2861145 4039282 1234014 2142772 2401623 1852502 921758 298697 1829363 1483762 1576100 2352949 2336040 5487016 1465613 990150 2098186 homoserine lactone 470256 683494 258395 298084 333777 572146 1091176 1373565 518831 512405 1324493 999402 942145 1185066 1362563 1202658 965264 1086218 1139883 888626 1328938 277540 1236010 395695 849193 975413 559466 964785 465670 homostachydrine* 504543 403018 256851 401106 365176 427110 429057 754321 617066 661173 581464 549293 559035 858140 747173 703854 640437 948595 513101 680594 659466 147518 521429 310495 286896 652409 656422 628424 986726 180943 249672 105454 245597 hydroxy-CMPF* 214325 160860 122270 167924 207539 135987 398041 675558 518680 663763 532870 534034 532240 608468 588487 550023 500422 793042 81475 132897 146844 97213 41927 116457 94454 90390 165012 76509 172245 37738 77453 hypotaurine 5373584 4334981 2711766 3214858 4012038 3381376 6286827 4787784 3761200 1422415 2045636 2870862 9816069 4591158 6697456 3297391 6218166 8328793 9607135 10132030 4429457 120037 1983343 2686872 2460202 2187013 4048479 1844201 1727825 6045743 2442343 12200503 4166707 704926 4697341 hypoxanthine 24825 97998 27601 21764356 26042080 21720898 9369440 10153330 10923710 26442930 19784084 13643927 13914079 4712710 2919122 29222048 27984454 15384954 1196285 6020950 1723789 163079 426953 571434 5711134 262850 35423 7936420 3278731 238855 302159 4532364 697384 imidazole lactate 1007213 730537 325291 689834 753227 763751 491864 568955 506290 437617 486304 516034 605698 663098 511602 454442 639310 725929 1977066 2022924 2065933 278179 1616960 1022560 234847 229677 706555 621853 718286 1058749 698449 1368384 585177 355382 944778 imidazole propionate 243137 376651 115099 363685 412203 311751 159487 212031 161854 153304 114890 342517 95464 202339 87254 207773 200289 150843 80302 193674 100930 124050 41855 132913 indoleacetate 236666 201381 101090 215240 216270 186359 270639 394969 287972 343273 308133 342249 341434 383648 376223 330702 355635 469931 55615 107958 73614 71377 34827 46328 176445 155584 169443 244380 365627 677627 225010 36525 274095 301420 indolelactate 684626 537270 305410 765968 715983 554211 991392 1205024 1697325 1075138 963088 1080599 1328969 1083293 1800636 1031033 1131039 1712226 966396 788061 1997520 166380 1314998 737448 126969 104119 1115330 575008 842062 999646 1099774 1383718 1046342 30669 827171 1234834 indolepropionate 310033 356917 93611 193525 305791 291683 384648 620568 562643 635143 564011 684162 482662 688120 613086 548352 522519 1017233 93645 142212 233203 1543981 2425688 631549 734703 999628 inosine 284768 839092 134835 2208790 20329304 4137334 7819404 1691628 968859 1895619 13223502 2607157 2796295 2967729 1771971 1809521 30944936 25717504 15260831 157346 654630 2087667 2758764 823466 2253103 618974 852298 1774984 282339 1891758 328382 199879 2614816 inosine 5'-monophosphate (IMP) 327090 1150013 204528 1430591 278502 216795 7387608 4430826 7576545 914026 1019619 1547018 5049243 757838 1143270 442855 709042 644984 6700420 5768515 4073714 601170 1516968 122488 1281470 522401 733978 316333 552693 799719 isocitrate 2390609 2177993 1712490 5358061 194142 4584598 3138839 4220925 6043395 7896606 6126745 20670838 1779417 7655440 6933841 3607281 6634589 1468058 2191984 1447497 509694 347895 6769764 1817562 6580392 10696677 1145125 4945978 8223644 1850921 1501388 isoleucine 1987035520 1784933248 1331579520 1866600064 1915418112 1766425216 2055504896 2372862720 2076542592 1955095424 2128446336 2169627392 1987553664 2126170112 2049725440 2097609856 2032522752 2069019136 1843473024 2099768320 2156192768 898466432 1833644928 1388638976 661462464 953949824 1803968000 1905792000 1781642880 1969589504 1871457408 2227898624 1488518400 393730048 1382678016 1777736320 isoleucylglycine 55298 49988 78620 95441 58442 78668 106904 84317 110479 176220 102713 121322 252456 233397 256500 75400 293322 127695 227746 107384 60774 isovalerate (C5) 414690 524124 390137 1360369 768785 350917 754626 811080 1181242 906886 682462 834596 1189398 549451 469991 1831293 895009 3669145 2085248 isovalerylglycine 227335 239953 111446 230446 224089 271540 260350 391571 200768 202163 257776 401421 360025 250190 292395 352493 331778 149549 197350 217483 161117 91554 164236 108515 136698 935122 479934 867133 299779 137489 154377 83757 itaconate 4021699 271618432 2634239 41446292 4610617 4835444 3109538 482196608 3058894 40156384 3312562 3533532 2661199 493693280 3124693 196136080 4743224 3017210 2199893 447080448 1988801 9566668 3000857 1589778 3060360 168417712 7212157 161005440 6823533 7438772 2101429 504118208 1671020 3029342 1448961 1880962 kynurenate 56209 495011 189948 59941 42569 96956 419764 120631 488914 137894 174304 110533 355516 123670 345747 178864 247819 25101 164143 41206 31635 37129 51568 227838 54239 51007 45204 170482 33492 kynurenine 1606882 54296768 720112 20140456 1679142 1472495 3267697 86371800 2502536 60342520 7035233 5359081 3797199 77032456 3202440 59308420 14570109 12031451 2234109 30852690 2962366 18882352 4181898 1552857 333112 5860210 1099967 20210084 1026185 1350583 2610604 43778572 1559280 7161905 3161743 3571710 lactate 619812608 616017216 323509920 565948672 505808096 294345280 669720576 1079372800 738982784 454696224 511198080 637762048 1127092352 1070395008 1083425408 1035736064 1107795584 1110489344 1547242240 1417504384 1888249344 507692000 1569976064 1035072896 367080992 274718784 1136974080 1201536256 1320848768 1271108224 1543183616 1944066304 1124938752 196913632 1004481344 1336857984 laurylcarnitine (C12) 749181 1030202 648277 437000 745499 864186 2043718 3664769 2262405 693209 818059 1581447 5394773 6479971 4905716 3177221 4485459 3557175 328802 816454 122918 218907 200060 114920 112810 372545 816710 1340286 444526 752834 207907 4537997 124638 243942 211855 200046 leucine 1705691392 1424473344 866493440 1554016640 1585172864 1427848832 1800812672 2203854080 1842981376 1728745216 2048739968 1963215104 1850354048 2088787840 1897330048 1999235456 1915621888 2053142400 1493672320 1957643648 1753148416 562771840 1619473408 937213760 335868000 586943424 1265932672 1619179520 1483639296 1721331584 1595524736 2255310848 1023201088 205694528 991447360 1480450432 leucylglutamine* 238233 245802 72865 214570 181289 364622 131493 126930 177356 156183 352258 184485 62665 244790 363562 64161 620140 446178 586921 85734 773531 215349 188174 362394 101169 92047 61204 85941 leucylglycine 63619 398371 116772 120045 119853 71696 121162 82652 161350 138695 1192979 792627 1049026 315720 1678975 617333 222568 116609 lignoceroyl sphingomyelin (d18:1/24:0) 1640341 5662030 1449286 1120200 1169809 1637375 6659313 13331111 3285342 4676024 1438170 3406902 10825918 7763085 7408822 6296318 9485209 9595936 1871441 1760759 816052 92947 639896 565009 8069744 3726717 13329018 9912989 6344831 6932324 2931577 2194966 3332577 4049307 linoleoyl-linoleoyl-glycerol (18:2/18:2) [1]* 937962 221107 215409 400853 467456 2085159 2519065 840744 879636 601731 1035624 1865404 1610396 1217087 1531879 2567408 1392719 149325 168740 412127 379889 324861 560436 411607 247579 133084 251412 207194 linoleoylcarnitine (C18:2)* 205986 960344 293178 327916 302948 387241 3117800 4624523 3182080 600465 798433 1550779 7450482 5044003 8032628 2478763 5737582 5102574 231884 125147 41872 113058 228568 690530 1018476 662723 1278176 197863 7921456 295916 479030 224194 374966 linoleoylcholine* 112677 169358 681918 188412 114784 54206 144993 426787 642092 441996 571716 544376 467205 496489 95413 351852 379621 87457 lysine 359263104 318029856 237627488 350746080 367146592 338359616 434584384 504280320 378383040 352491264 439204768 340062240 411732736 476720000 422851904 457324832 452221376 461489216 437411936 484788672 433819136 205365120 444205216 305015424 111700208 203187936 302651488 406039392 404443104 443959872 421706976 530574112 291932768 74170968 345604064 402464672 malate 57098852 61478844 31032128 47109856 36426504 27993450 94701752 83396048 82422824 29826112 35210592 56091240 88467840 75376520 117137824 58068448 70411600 78997104 58677836 61878696 119469808 8964683 41619740 49147220 32622988 23970436 93440368 23561360 91062368 94089928 59849032 70980104 94640216 6446169 37695848 92146928 maleate 3245753 3229342 1756582 3567859 3322697 3865143 9008408 7299917 5467702 5631996 8429028 8302170 5187053 5047163 5844549 7889998 5652676 5345100 8601032 7048944 5661446 1129462 6427748 2164824 267052768 267383520 784132352 719770624 757731136 823158144 14624271 18171992 5050332 1279020 4352663 6879644 maltose 404952 282453 232214 421581 491676 252649 362538 354276 358137 355689 482906 299439 407619 367139 405497 353810 465343 519669 708550 762037 4862705 193157 2465053 112419 353919 167186 391963 634951 217561 694420 466888 834644 maltotetraose 841393 471513 664738 1105128 1142682 361760 322121 61348 328983 51094 205074 346171 460944 162013 1035553 763410 858141 1626531 360618 556988 12217999 4265689 1118504 140085 1324403 608203 1302697 532584 1508064 1951097 maltotriose 1118473 664198 763563 1532290 1436678 505810 524106 263094 528401 238776 377306 587026 772087 430170 1273897 1053856 1228046 1913328 1026784 1320771 17235508 113372 267913 6624488 1218208 264408 1478792 252254 835132 1560412 252467 1121241 1812962 65771 130656 2891385 mannitol/sorbitol 913800 923063 714504 659835 902060 715604 630800 1196892 1143079 405142 833379 1056178 997248 956661 1520932 662111 912079 1375672 912274 1167805 2061139 135323 1338014 842418 553311 456567 2260872 773505 1699817 2702621 1494068 1953447 1338394 636380 1288465 mannonate* 952810 865669 492555 1227848 1074985 673952 736220 800734 781601 895113 780277 883588 896887 736899 882331 789859 719333 956602 468707 493306 619188 372967 223612 122456 220820 465183 515488 421557 695587 521414 683437 234828 271441 409631 margaroylcarnitine (C17)* 152619 336418 658671 388679 74638 85264 251745 845978 626159 921662 348788 620096 652531 154744 50896 63862 183397 327150 152811 178680 282182 methionine 704571328 550154432 344958016 597088960 627680512 535922912 760541568 1025648576 780500992 681354944 924512192 846562688 759235200 893180096 782169792 822503232 805352640 825893376 516461408 748955072 653040384 194802352 570519296 308636736 132313032 235727008 418131168 597411968 506396160 655546240 539618560 981056832 332423552 107619248 320427840 516611872 methionine sulfoxide 22209730 18671868 11327617 20061628 20839504 16749691 23928440 33768772 25966436 23506248 29006038 27019212 27342760 29244124 29164960 28418580 28348976 29863582 45883888 54919936 60439316 15085723 52658156 28575860 12148939 13711368 42602852 38969920 47626460 49577492 46372476 58270284 28444028 5464122 24441032 36029816 methylmalonate (MMA) 1407389 883457 662416 946372 1196803 978644 1205645 1294852 2135450 1004367 1204651 1335194 1329007 760211 1329088 1399864 1091023 1543427 890793 1455941 1301282 463771 1048158 634421 504928 539548 1364876 1185889 1081654 1309489 2594128 3567147 1750844 634188 1305577 2206315 methylphosphate 4632632 4148843 2643917 3533963 3079950 3748557 17287804 23743704 31117056 22923960 23143024 28187244 22845324 22437044 28559402 28334916 31195944 46539228 12774747 16890764 15183492 1388824 9872443 9659947 21742876 17366464 48732120 26217736 49520652 71461280 36804220 50770196 29432822 2264065 17453588 24831856 methylsuccinate 5484888 10065722 3054136 6131168 6851789 5444913 4080003 4332783 4459937 5934587 3363081 13969111 3165915 2710543 2399817 4950272 3762342 3842037 1828649 3412799 1668844 539074 1934595 769010 1995309 2761733 7499940 7541707 7671125 8134041 1395585 4478826 804470 671799 1128589 myo-inositol 68585256 68075848 66152868 52635724 65973784 47183624 96860256 136973776 154960256 61735816 82190576 96119176 112212040 104972744 181507568 83224872 103440664 104651904 65998312 82230168 96094832 14848751 65908704 33226316 23237348 31112100 102598928 49339256 59614404 89785440 64468684 100743752 47249800 5088107 31831424 51298572 myristoleoylcarnitine (C14:1)* 583840 889135 625328 284724 549534 662930 1835186 3219888 1788598 462986 740991 1081481 5678351 4932121 5095786 2724660 5048656 4157541 214089 481164 107478 164160 269005 573885 805751 388502 721239 209174 6485274 224441 144472 169243 95725 myristoylcarnitine (C14) 1140718 229957 204032 270865 567729 3791204 9070802 3490091 466819 673127 1587054 10754904 9593525 12494675 4025347 8964533 7297230 334246 682421 1527218 856478 7692898 N('1)-acetylspermidine 5029496 9738768 1260649 4880421 2446162 2164229 7943740 28727098 1273540 14661636 11419544 1975457 7917831 49580788 2357155 23812164 4135937 4561715 31466964 77396840 24473776 2662709 21667908 30619458 1625009 1552053 1581819 4550674 7186433 3808517 16038224 97282360 23809078 457833 5748815 48065484 N(1)-acetylspermine 128434 339565 175973 102061 213861 450881 191362 1376437 657697 956880 N,N,N-trimethyl-5-aminovalerate 4882535 4614968 2324586 4085355 3989203 3797417 5350922 7608159 5781814 4576412 4491981 5512600 6888427 7810217 6894822 6201156 6792869 8434976 4383925 5921481 4717904 538272 4130298 1786011 1642729 1794973 4077751 3536650 3988550 6071949 1472854 2842271 1032920 523500 1471629 N,N,N-trimethyl-alanylproline betaine (TMAP) 1282575 1108691 549286 1452929 1387932 1054443 1075040 1880904 1241835 843983 1070767 1230439 1348849 1191458 1442431 1363831 1182966 1184795 1073510 1377295 1854703 221306 1063456 673776 428028 270141 1802121 1768556 1605385 3210705 1160710 1992484 614995 93353 373826 941479 N-(2-furoyl)glycine 216964 224393 136493 165884 187041 145264 327357 409396 382154 417391 378364 384016 377346 420688 405368 427037 401924 609611 545950 560421 697238 144149 538961 277974 99491 124990 335580 263263 289449 427343 316619 467979 204388 171196 304891 N-acetylalanine 1155783 1697263 1026901 1208528 1465402 1094979 2586273 2987261 1777706 2021925 1141988 1824135 3690519 2212906 4021616 3093967 3225050 2596551 2752178 3221367 3088517 852493 2286577 2047492 1305058 1204678 4147543 1951155 3821086 3879088 2323339 3626943 2468053 306519 1849668 2857297 N-acetylarginine 3717325 4132290 1691354 3053425 2962227 2904895 2904412 4959949 3150147 2563232 2599719 4455509 3300354 3658531 3222106 3873311 4623070 3784563 384658 597591 484979 65751 516315 168447 1695010 1336622 4005876 6676977 5856723 4495963 648008 916573 309177 291848 412896 N-acetylasparagine 535362 679756 306333 563830 575392 525159 577931 979550 683543 726943 597723 1437599 786433 690560 731633 1022815 1015279 751599 277509 465003 377493 73884 300208 97415 447739 303000 1308168 1125976 1520075 1033755 331471 451795 184654 175876 268193 N-acetylaspartate (NAA) 16094647 11605816 5357302 11762274 13652496 10488719 16296520 25103056 22029650 8138372 10115179 18485120 23202232 23183616 19922246 16785268 23458440 22554418 23459340 24392604 20802108 1047692 17140688 5033979 3547076 4138740 17844910 10521583 9567919 13896713 4390976 11392265 3596075 164231 955192 3062462 N-acetylglucosamine/N-acetylgalactosamine 728312 893725 373341 479950 300272 1542299 795255 441751 849940 473741 529470 1810924 1006965 1598042 681674 646255 909227 1275748 2329649 379360 5310196 1121226 830057 484995 1356336 3040190 1179967 1314948 3538745 1148068 1372948 1641856 1233168 N-acetylglucosaminylasparagine 833315 865640 311781 652289 630223 573475 953737 1565393 1334785 482568 614036 1069897 1459879 1580092 1922580 1259595 1738847 1748148 1266292 824729 1616760 2009824 613825 211242 158344 1250449 886015 1702822 1584233 1235905 1447238 1015454 250407 1222500 N-acetylglutamate 337843 233972 70934 172042 78924 157655 503258 524694 379454 318338 286691 557730 1013954 567597 276742 320714 305549 226146 1531318 296314 911074 876043 255924 1138665 387717 369399 N-acetylglutamine 2161253 2841868 1258384 1847431 1886652 1571690 1900704 3436540 2030945 1888524 1734555 2805529 2413545 2922539 2444553 3381435 3253908 2573987 518536 1536122 494019 181253 718189 253589 2066069 1620857 3710080 6830171 6061066 4209642 576701 1074387 294425 283843 321517 N-acetylglycine 684364 761356 566277 955909 1169136 1246933 1158855 1316802 1173692 1032929 1031797 1400485 898012 1065790 877540 1053620 1194314 1472289 832289 989769 899038 347107 992414 516848 910375 694636 1507446 2038596 1800572 1854572 936427 998439 635487 492103 561078 N-acetylhistidine 309866 294905 83825 200149 155212 130685 245008 474340 255481 174091 186798 329993 367894 432529 332133 426406 515909 369455 101482 249083 78988 92376 102855 247144 398212 475197 314690 161256 166074 N-acetylisoleucine 289908 306934 221494 232654 150342 170942 479799 258086 330126 265357 395295 331247 261544 282516 384553 399329 365204 101463 630297 1177466 662694 369894 N-acetylleucine 434165 435421 154663 368234 374108 343377 335382 594394 387187 408307 410621 538796 458286 434758 451155 573209 536585 440745 77713 130749 68019 82564 38219 126657 141449 743196 1315352 781316 539750 96291 138949 50717 71619 56516 54642 N-acetylmethionine 481935 508403 208598 429778 371274 292479 484253 655604 452810 248419 301660 419785 716445 632046 900356 608890 736243 645775 1816054 1416997 2231918 138586 993327 809985 328820 195210 1698158 831155 1735979 1852071 1316948 2245882 1425453 52184 749529 1620379 N-acetylneuraminate 1379368 1452732 885415 1549258 1824328 1732448 2480921 3355038 2162004 1277343 1373296 1910874 3807014 3985078 3434848 2988770 4352001 4095647 5952886 4502223 5869210 209959 5184331 3086381 1035512 889516 1740932 1054632 2132065 2610563 2048032 2090587 1589989 252897 1451186 N-acetylphenylalanine 210981 242758 87957 244939 178467 185723 191476 469294 247339 246901 225101 351596 343636 332031 274456 392568 412466 398632 22262 69593 29942 70402 42043 96244 273827 587250 394658 268873 70934 126764 47566 N-acetylputrescine 185045 267853 94875 137714 184744 141263 2479696 2790916 705904 757080 1054272 744689 1147572 1430637 656629 916948 750438 778045 986775 2500310 858108 167028 853006 521090 188289 959584 315157 1176253 653483 622531 664170 2777092 342778 280373 552155 N-acetylserine 1467146 1636926 699377 1292053 1200535 1118134 1675811 2803496 1721011 1309591 1427185 1684399 2183482 2890162 2537186 2925543 2783544 2483493 2607463 3809491 2576089 544683 3415695 1493479 1140900 1148345 2471428 2381563 2864155 3385792 2602652 4550572 1947176 171209 1323772 2556103 N-acetyltaurine 586077 868948 300539 359506 295092 281148 1294939 1879743 1139923 601874 813188 1104517 1715430 1656021 1600072 1149893 1924583 2077833 559892 930849 595704 31604 486907 320823 1022201 527823 1336757 986151 819899 1252044 483033 800325 408661 200396 396321 N-acetylthreonine 664726 797510 415332 636547 616312 487609 762516 1174582 758080 692851 641313 938533 1027549 1259558 1175806 1418641 1392503 1344579 796195 1078565 692823 116275 684200 396386 366954 426718 797991 576742 783769 1017103 585839 1370093 404780 102477 232806 573511 N-acetyltyrosine 149241 137947 62161 150287 167770 115573 122419 171622 126438 157116 107862 151770 155064 147250 103757 159533 151848 146870 28333 60900 92737 166443 155705 145911 26767 47590 45427 N-acetylvaline 150421 139820 144712 120449 112335 137277 211397 112560 193541 142089 200911 155409 184236 160594 175127 171605 174530 83516 99900 81970 95777 62015 88762 219426 330509 253170 218083 54268 139329 81509 91924 N-formylanthranilic acid 7445294 1949842 323325 7969829 6019171 273344 293713 996509 6086913 295900 6450079 1297041 831675 3064928 1792911 342085 151331 580321 106376 4754084 881951 166622 N-formylmethionine 321287 256586 126918 274421 257712 211506 366647 636401 415558 242154 277812 424523 662035 637795 650586 591895 631306 563519 744423 1079507 1310130 96858 669186 502282 194238 173608 1220477 710562 1067679 956294 783731 1680005 693582 426615 632127 N-formylphenylalanine 338233 365216 147064 367556 348179 368684 345586 595289 393365 339448 356074 741029 451535 360064 412883 535837 552625 486984 327266 301110 278102 105761 332513 154617 49707 99801 498770 492358 684979 364299 132478 118454 49489 58046 89478 N-methylproline 1114012 1222727 670052 1112539 1358348 1089215 3368585 3817519 3122576 3138744 2916120 3536868 3274810 3323156 4101575 2926918 2998114 4473603 454368 569030 466718 240101 374498 318457 876575 1097250 3969771 2584954 3671842 5180822 2606769 3414766 1533632 1355398 2025581 N-palmitoyl-sphingosine (d18:1/16:0) 593871 10048870 1810174 1785588 1428568 1429716 24948184 43429408 9217195 4242631 4722304 7650475 20078260 40806440 16499627 22968392 20321036 15480422 17724944 10897698 2843216 1243189 7982889 6415013 2026062 5372508 17661024 36167064 21808788 13799231 26419224 25587332 4622386 8475313 17920096 6757800 N-stearoyl-sphingosine (d18:1/18:0)* 268352 992573 1981452 204122 131228 1090345 1853093 666628 921051 790878 587173 1163306 155608 238846 202022 509651 2242271 1038669 408815 1412870 631507 1030758 771097 N1,N12-diacetylspermine 272525 532592 384384 492681 915875 1872474 282186 1772142 143496 194580 240507 1614214 4470965 117992 3835343 N1-Methyl-2-pyridone-5-carboxamide 559038 707240 548112 610714 597824 523331 975216 1630822 971632 1225042 1101778 1221276 1514183 1617828 1383264 1372517 1457284 1833234 326119 423379 372870 245425 328691 369176 134609 166373 328089 254041 312845 480232 261551 410648 182073 198559 205094 N1-Methyl-4-pyridone-3-carboxamide 417034 576146 674653 1162961 233165 310659 120501 1-methyladenosine 91723 134759 128814 63822 50092 313072 647327 276235 175109 141332 161440 586007 1051918 450472 577341 435769 513099 397907 863921 502318 65537 1194706 225916 78154 179667 315682 395379 483226 575031 1153752 1417978 203722 325193 433216 N2,N2-dimethylguanosine 81976 187108 74422 94830 65671 92251 97492 296370 126942 182421 146941 122043 134495 356100 159320 182241 50956 78910 99690 146344 147683 179925 186153 474865 108784 N6,N6,N6-trimethyllysine 1374992 977264 324544 1344401 1140948 811434 2726660 3518961 2214770 1916983 2412858 2262177 2770509 3819097 3724511 3134594 3186872 2913617 2401504 2935182 3543364 2530092 1385647 257532 264742 2107406 1678218 2661281 2757519 2786783 5970332 1702253 1266438 2580293 N6-methyllysine 2267013 2131087 1300752 2129667 2351274 2139874 1717899 2524527 1825089 2087554 1578988 2043307 2058183 2645476 2216014 2388893 2078754 3223943 1664686 2653460 2445164 620882 1817098 1401204 978346 1749082 3338508 3128342 2891184 4806790 1615582 1892335 1212453 558546 1153332 nicotinamide 40602148 82992488 26657144 53742464 41753456 29430542 65267608 135523072 54147608 51573752 44019544 58968088 80021968 147844816 58663780 129145352 84554576 65526908 73725648 80561024 60245952 34805224 68678096 78503320 54172144 70442816 70987576 89591776 93292352 82138160 45309760 99035696 26689492 3659491 23217504 31270126 NAD+ 3426948 341198 1905744 1232887 2065432 1988559 2051211 1610680 2972395 603225 1008324 1587644 4027106 1380421 6003056 1973189 5165181 4970201 7159212 242573 7684161 7048278 3499122 2421872 583124 7620465 1624911 7671373 5282318 2804952 6567012 5610212 825343 6059243 NADH 1635016 260843 803270 995903 669303 467093 433151 418511 780034 281104 281095 905901 1451009 521985 2008322 1106428 1646863 2127862 730255 134456 4024530 107487 1841862 4389222 nicotinamide ribonucleotide (NMN) 181961 92177 117471 103969 89185 102417 65517 2444190 109636 76915 236732 1229436 111610 285349 363025 O-sulfo-L-tyrosine 136620 208858 79098 174441 91060 111292 106878 193384 101638 106088 87059 116210 178582 210431 188156 240762 186321 217540 183487 194157 224699 30131 177829 91657 57845 73201 171736 144094 148188 243205 200429 308471 126721 59115 185810 octadecenedioate (C18:1-DC)* 341427 204294 121953 222371 203313 223992 231393 327274 261391 367994 261522 406196 395332 282273 406806 306612 254749 451275 115178 197402 269550 140380 226047 357780 354931 147974 126507 142080 octanoylcarnitine (C8) 3232157 2486257 2276706 1465360 3048473 2203453 5278648 9310663 5261150 2151978 2940769 4913967 11810622 15127481 11564258 13245611 13909267 13751397 2183205 7108906 3145124 777771 2001947 1770466 576878 1514382 2722256 3265435 1617967 2612637 1426166 8361129 1350434 285293 884210 1433422 oleoyl-arachidonoyl-glycerol (18:1/20:4) [2]* 840140 4754500 5678059 1737402 979888 579483 345064 4413174 3878791 3367890 3532863 5586338 2858306 750024 329989 210618 532912 1167701 507605 1585427 802690 315453 oleoyl-linoleoyl-glycerol (18:1/18:2) [1] 1037518 4285742 1342882 1584902 2185552 1775465 13401123 14693300 5261000 4808232 3608229 5194606 10266988 9309297 8058651 8534099 12661558 7458948 1476712 1189502 843647 684171 823619 1194367 1127538 862174 3345900 2506430 3371826 4216061 966722 1942911 999399 1028584 1090849 1205397 oleoyl-linoleoyl-glycerol (18:1/18:2) [2] 1383979 3998525 1795933 1637531 1975734 2067188 12359187 14267490 5969511 5078417 3828132 5097972 10959796 8944244 7887961 8592393 13121970 7465804 3419080 2864658 1750800 1325404 1992499 2446526 1517369 1243579 3880790 2485633 3639831 4104851 2666970 4211666 2647841 1721374 2291419 2796287 oleoyl-oleoyl-glycerol (18:1/18:1) [1]* 648831 2320044 670416 717887 1316636 1752557 7388881 7992041 3371687 2974151 2225084 3203939 6047622 4785751 4062078 3286370 6924386 4209345 915297 612097 714475 531490 724720 555059 729479 603577 2137811 1291988 2263744 2500267 772453 538209 645469 574282 1044921 546260 oleoylcarnitine (C18) 447705 2585114 818685 1076763 787926 846914 7992437 12316596 8657416 1276399 1898958 4015669 17443640 12579380 20177544 6158911 14467524 12205497 1004863 400512 165134 60630 440922 720955 2763066 3924286 2239284 3987209 228400 16094798 494236 744342 279818 670445 oleoylcholine 290485 534615 2732693 658369 223130 136607 349270 1778604 3087077 1597459 2127161 2028061 1738265 150107 118691 77796 70473 1111666 225249 826885 738000 372907 51889 65035 ophthalmate 309032 1633556 202929 296565 777312 875297 899715 128249 419259 480405 97715 288117 386645 389715 554896 775079 212712 ornithine 45197352 35600184 19170888 41817224 41439824 39176112 66291824 79417680 67687312 74541344 83942016 64745280 56489360 73269984 62823136 64653844 73359280 95386320 46175052 50656028 59226400 10548911 49423412 26447852 8688172 14972601 37376580 38406484 37869220 64601412 66557928 91418736 45418024 5855788 33821824 57258108 orotate 669917 610189 382831 457105 509902 367289 1549248 1932694 2018177 1295117 2410893 2624970 2830737 1350997 3768926 1437514 3166302 4203807 856966 1470629 1631938 323865 782551 517183 325191 482686 1481194 1297676 845372 1527922 1031953 1432699 926287 516754 668713 861539 orotidine 111424 112256 61215 335449 446848 530994 59553 102731 441855 952438 446787 799932 396112 729084 1167931 41622 57510 39445 142881 48111 110825 300816 98398 39957 p-cresol sulfate 6550901 9628693 6555188 7182468 8263380 7403366 10347085 15292829 9597983 14290691 11535663 12765987 14587969 14673295 13348856 14074360 15287197 19243246 10681735 16187538 15410859 5294515 14803869 10668930 1923181 2602855 5934030 5629255 5083016 8017084 15342592 26932262 12298898 2983554 14971752 18143750 palmitoleoylcarnitine (C16:1)* 1037164 325989 337951 398157 467283 3006579 5258951 2982820 553061 799312 1552058 7880157 5620013 9120881 3144228 6520156 5768836 359768 113565 492677 1066369 496762 1058995 9079957 207455 palmitoyl dihydrosphingomyelin (d18:0/16:0)* 2853989 10698712 2123358 1640574 1879548 2897179 6810978 17439180 2947144 3569730 1271005 2679224 14348910 13217657 9373891 9097101 11083853 9658834 1574247 2016468 825758 159042 203951 250932 674697 452357 7821552 2386054 9075856 7268447 3173699 4406827 1811376 1106259 1819430 2198052 palmitoyl sphingomyelin (d18:1/16:0) 13366237 52388484 12986107 9501020 11865122 16369053 83976464 187869216 50053516 44209212 23253984 50484844 140455024 116647592 104111432 109481168 163938608 134867744 20402100 18599196 10143369 1578629 3008642 3548334 11323673 8847661 106299480 37794800 169997904 140095360 62887320 77764968 32623416 19313648 33759136 42930968 palmitoyl-arachidonoyl-glycerol (16:0/20:4) [1]* 662191 142878 184263 5804297 4827088 1848610 1558686 1469359 1891406 3289542 2250245 2082371 2605525 4860780 1782831 185366 2232332 685517 2182946 1700483 palmitoyl-linoleoyl-glycerol (16:0/18:2) [1]* 301974 1600430 709782 530046 803576 531548 5633177 11203496 3812904 2052142 2187878 3414231 5016803 5709308 3692720 2817270 8369274 4526510 648284 348770 123832 310382 292906 123892 2023055 934762 2536625 2855192 213578 428046 315952 347328 297929 palmitoyl-linoleoyl-glycerol (16:0/18:2) [2]* 447363 2060257 721044 512209 748424 785830 5047557 9403472 3253353 2741387 2310362 2824493 6138497 5317160 3589409 3316552 7367114 4600616 2001041 1142119 640223 583607 615544 1163008 535859 1918974 1368706 2574284 2419165 812435 1900506 1236717 533330 846352 903204 palmitoyl-myristoyl-glycerol (16:0/14:0) [1]* 518929 902612 322306 375747 261086 508001 699524 354720 335016 505993 580389 572986 859910 370982 754947 444402 63187 177652 107226 palmitoyl-myristoyl-glycerol (16:0/14:0) [2] 1410116 1890110 747676 641915 513819 1174570 1628660 1014162 1158573 1111002 1761861 1438588 226448 216839 2219766 957206 2644414 1131887 404438 125764 237960 palmitoyl-oleoyl-glycerol (16:0/18:1) [1]* 1520721 219656 303289 346421 403302 5487230 6774196 2064428 2263979 1744722 2595466 4978022 3741035 3377374 3408344 5679176 3147407 473640 81701 278786 2078510 1297075 2570965 2655783 237345 282624 palmitoyl-oleoyl-glycerol (16:0/18:1) [2]* 2049537 568872 419485 629519 576717 7895098 8808140 2934400 2127443 2112972 3846141 6824318 5091717 5039098 5451544 7900041 3591585 2080942 1511058 694154 527932 805938 1129522 485717 462956 3792492 1489399 3213573 3287125 931034 1576149 896214 366440 722620 825477 palmitoyl-palmitoyl-glycerol (16:0/16:0) [1]* 678075 2725727 1031186 1382231 1517612 1720285 7641436 8767949 6069380 9029106 5864453 9110882 8674866 5726803 5438868 7028026 9344072 10418836 2133740 1597794 1113030 727516 1062126 1755257 2981462 3333413 11019472 5759782 11742081 7091429 1906848 4447074 2757610 941302 2113713 3661303 palmitoyl-palmitoyl-glycerol (16:0/16:0) [2]* 561938 5362714 1094505 1463775 2041667 2011700 16017448 21442114 10604433 10043240 9018079 17994030 19379508 10911723 12876910 14462945 18906204 20614406 2909848 1977303 1296659 497362 1154436 2623576 3274291 3350605 25151952 12851898 26965136 14552238 3533571 6712073 3205462 1443117 2403131 4453233 palmitoylcarnitine (C16) 946669 4214578 1231845 1998821 1237050 1695182 15679171 30428328 15411225 2794956 4144720 8067285 26229466 23603280 33434876 11143811 21583098 22393056 1777060 1043971 612690 259401 284100 362632 740890 1162083 3664458 5787760 3641868 5439392 567707 12238763 774734 1176426 538288 998764 palmitoylcholine 94408 1006729 150978 575477 516169 555460 1394995 5556815 1541039 2020328 1358231 1512295 2540422 4293260 2356219 3628590 2522611 2533365 205072 193278 400192 735537 3770269 1551080 2924226 2520051 62086 330996 70983 48986 104902 pantothenate (Vitamin B5) 27910200 21990672 11032588 22742996 25295646 21681774 30791482 38160796 30700464 26081190 32317264 34355256 33794184 36402428 34089440 33379658 37553504 44049268 24341840 30132452 31648500 6037271 26631440 14647475 6754726 8162286 23508256 20907094 27354854 35371388 24713548 36844016 14296449 1909008 12351338 20334186 phenol red 47193372 35101368 22216372 38926200 38470804 29728954 43254656 59285268 42268676 39439356 53543976 51202808 49575860 58606672 45059772 47996840 51305904 48958420 20083788 26382880 25786826 9125063 29503820 19498468 10307714 17990192 41705912 40101400 39848696 55322112 23596788 37183480 16742622 4592261 20039686 25684428 phenol sulfate 6382394 7140727 4835031 6467099 6930558 5400452 6436827 8891983 6113401 5900501 6762027 7546778 7181867 7246757 7299783 6996149 7698449 7926031 7257733 9526781 10087787 2372168 8731270 5199824 1468132 1862648 5338469 4403438 4560635 6606443 4544711 7254020 3100760 593134 3410970 4963682 phenylacetylglutamine 1128866 953616 468939 1009524 1056202 1003152 1232796 1470001 1068554 1405830 1408015 995539 1276551 1523059 1182426 1145608 1407617 1773001 1683635 2425118 2681542 442699 2125192 1160863 93857 220030 470422 535545 542703 907078 1693499 2935536 1164649 128323 1116495 1579193 phenylalanine 789830976 638618368 395475360 695499136 745012736 650976640 807031232 998822784 795222848 789749248 969032448 899019456 792609024 925595904 785118144 897635136 905555136 960187968 642657408 903297664 754528832 246581088 730179584 390404928 126632840 291074912 423780512 730839424 656030592 802660736 709799488 1124007168 403188800 85445248 470844160 678250112 phenyllactate (PLA) 116624 566290 1364294 1036470 82912 116582 187491 600884 1445737 635126 514826 245501 249703 631663 2114642 1799312 704312 981922 404883 387204 428009 2576137 1123709 206805 917851 744901 phenylpyruvate 346021 524531 109294 363782 555075 233867 354553 792199 494651 331278 262837 311293 328055 711849 631408 522703 237122 327525 234331 1203720 689175 536630 454433 333927 110439 226069 573183 448728 458887 204948 936167 426634 244605 387763 phosphate 424122368 351479808 261433952 387728672 403570144 321297536 445715328 535472032 471320576 421725184 503602464 475025760 491214752 500293952 507907424 499071744 496328896 473815424 411483776 444902400 491419968 149651920 455203232 295643072 128732592 195158400 374363424 381794368 397799360 459997184 507039136 583367104 374126048 84498016 360452448 438158016 phosphoenolpyruvate (PEP) 2179981 1031386 1354103 1618625 495307 468540 876684 664494 970830 266684 439242 1049849 2107227 885169 2474253 2382970 2370807 3737092 312983 126349 1383740 190443 863442 126724 103899 308718 30553 311238 985659 383269 106370 173647 177389 109451 phosphoethanolamine (PE) 17846798 20022832 10927332 14649352 13325792 12336425 26200712 26858476 24687344 11095201 14856275 20395040 30831958 31095018 31626802 27872866 36188716 35893088 26043284 29364808 16918720 976678 16051583 10349366 17681640 12929259 24106396 17801070 26884660 33557072 14209090 27906156 10943020 601864 4843887 14612035 pipecolate 3986600 3416359 1869214 3569368 4287210 3363291 9568300 11803916 9339296 11055902 9768037 10709101 9451317 10782910 9949883 10345462 10775544 14858722 2216622 2721226 3144692 631177 2965191 1530430 1167566 1379596 3252978 4206758 3226025 4705471 3302176 4817391 2123919 737688 2293216 2521665 piperine 100401 40558 36393 789353 958357 381809 274437 208278 370755 948328 796500 769073 624479 905448 719113 339909 305282 226762 56162 158033 398252 318965 210693 1320504 500588 1235843 1472634 177715 pregnen-diol disulfate* 449182 316093 138398 310375 303829 243153 368229 474660 344783 435073 450050 402686 364055 485173 419708 459029 492478 548936 144618 246217 205988 148348 51385 250213 425593 1027827 927235 989280 1455005 248652 323006 146129 33957 143447 pregnenediol sulfate (C21H34O5S)* 29885 66625 50498 80379 114532 66752 69032 51911 94273 100089 125247 82379 77371 112132 119828 106957 235457 217674 205688 329955 48167 pregnenetriol disulfate* 102516 96435 96247 66747 81642 103832 221388 153417 139196 189465 218799 123892 198833 188691 159995 161754 255070 38621 75217 35838 91135 216951 173862 149179 245030 77870 129771 29252 56476 pregnenetriol sulfate* 54776 110281 41061 69874 36959 58670 75543 123974 71472 91246 73200 100670 106852 137380 108649 104163 112097 145870 34500 59477 175962 138071 103945 202574 82219 42389 prolylhydroxyproline 554094 479002 189988 542266 557325 549998 426104 935584 702204 398206 554134 536755 842638 723991 295454 794698 903185 368003 236886 605463 394953 237331 161216 63758 446211 121192 697620 100297 277094 proline 1490572416 1287550848 810054016 1339790080 1368536832 1236232192 2119459200 2716463616 2176707328 2010908800 2396022528 2358105344 2247077632 2473736960 2238792192 2402572032 2269176320 2446667264 2009515264 2398984192 2394506240 733628672 2100309376 1274974336 510747424 726201728 1669886464 1878371328 1834322560 2134609664 1923693440 2819929344 1307577088 289694176 1211339648 1700102528 prolylglycine 322546 348814 180158 474297 201140 429914 500231 457944 609945 604443 245921 425194 392095 813339 616311 702628 832884 985102 642887 794835 77983 propionylcarnitine (C3) 3018573 3298457 1570054 1210769 1833461 1710133 1597816 3017416 2104587 1712964 2038263 2020611 2660459 3908052 3484145 2650942 3823224 4107332 3746760 8181478 14687759 357238 2161114 6557453 473321 716164 3004679 761980 4303221 3880172 2848783 8543981 10239362 253263 1505712 9899396 pseudouridine 715530 794546 366216 669768 573288 473601 996735 1629429 906194 715285 766239 820206 1615693 1759988 1589548 1401155 1711228 1823855 1901125 2069316 2085110 436855 1967107 1041488 654459 637524 1789387 1476796 1485292 1737041 2040264 3263722 1476984 164782 1078299 1900772 putrescine 478185 460342 143273 327608 253466 139138 5940926 6833972 1867873 2752589 5493522 2140358 2183463 3919253 1562513 3023522 1866337 2286583 2558016 4663237 1323298 70885 1819391 1406405 302780 2257395 6405261 1231120 731996 2438970 pyridoxal 7029147 7048207 3693639 5069040 5239012 4580311 10904942 16557937 11758919 4235502 5222473 6397668 15451944 17048690 16776101 12551581 14624724 12744856 19969884 27535220 22417728 1708586 13959316 14797915 1804980 3001385 10181573 9306403 13990034 12215829 17286312 35656144 13536272 7548200 24009252 pyridoxamine 309656 315036 320690 345450 528656 394645 350482 292517 426054 302950 6391004 2632859 8917581 1593887 4798841 6627432 280083 212816 428033 326796 6201084 6823107 5326512 531278 3764826 7035280 pyridoxate 696234 648249 429938 681106 785013 652698 1555044 2173644 1670587 2259803 1792565 1897806 1884384 2032375 1933862 2118527 1987830 2546689 292819 324970 473188 355843 174533 92148 383766 299289 385549 636454 462707 659195 271836 206306 333253 pyridoxine (Vitamin B6) 102941552 84122032 54586160 91919984 101730384 80693888 99983088 118112816 88126328 100788432 132328024 119333640 94447400 104358672 94019664 96980712 95316728 102971248 29052660 40268904 36028912 17153780 37146436 16750690 7252382 15678345 35427604 45867544 38970832 59057496 17208012 28450408 8051864 4212034 14685359 19689130 pyroglutamine* 42188900 37465328 20134936 37510912 37927248 38030704 31632860 37776620 32240100 30570610 34691664 33091366 31259372 33787044 30891054 28751786 35184672 36530112 44778120 58305168 53611280 11110249 42314424 26367180 14614921 20690946 43540600 42356584 43843600 59715836 27312296 40634912 19878204 3288303 15204132 26105786 pyruvate 1192990336 801389696 558549312 1181463936 1380385280 885175168 276964000 673173056 273423456 615413696 744134592 431018496 378766240 648604416 255106192 642274624 385439648 494942464 33103080 223148768 26116168 37939196 82564944 3242232 1383437 41862912 9803284 126641112 10281787 51834428 17217646 185307008 3300147 7215062 19925092 3766697 quinate 1547105 1448843 830218 1657824 1608604 1210702 2722659 3533349 2847092 3748286 3769333 3638928 3629491 3569019 3438302 3528380 3731767 4675386 3388975 4199029 4708582 788685 3749098 1816080 517741 810848 2614306 2149039 2229863 3715757 8654247 14160094 5152269 617537 4278302 6951843 quinolinate 1308779 84848000 414378 52248120 984718 710672 5665672 237474208 3981831 96979848 4737859 6830063 9430159 190024576 3734085 157280416 21207940 15938985 1540150 138405520 1826644 4625633 2174647 852273 909008 40698216 7320813 93751152 4880914 5038681 964519 98113704 612824 1127275 870494 1695321 retinol (Vitamin A) 146711 48282 516032 708788 189580 154422 128189 223227 579499 683277 424524 527290 648178 540379 209479 180977 274506 166186 60575 ribitol 27860 36078 51047 32164 50324 55174 52146 36064 98463 143363 122550 104833 63351 29645 145849 70286 115368 147274 99463 195592 45859 34935 77390 ribonate 2613121 1888349 1040404 2769843 2783856 1846275 1460824 1528910 1598534 1570797 1036971 3163806 2375886 2393220 3199911 2127153 1494374 2262153 2727808 2235992 2842863 325869 2216835 1405814 1109361 1005509 1989068 655242 1818821 3048077 2695345 2966821 1619482 1122809 1915558 ribulonate/xylulonate/lyxonate* 6313464 4734406 2805544 5780129 6643389 6837776 12430025 12929598 11681447 11540415 14822269 13268905 9472802 11563324 10009641 9575072 10415589 12502808 1137712 3801400 1942993 244578 1088715 603511 845460 3067985 4542310 2841179 3718176 8345167 3950392 7052070 2596419 263851 2170779 3236093 S-(1,2-dicarboxyethyl)glutathione 199711 197218 71791 167456 99281 96186 156996 229871 208110 54086 76719 106940 177765 189778 250081 142395 184362 175445 123793 48871 89748 80286 61768 44474 229770 46816 169641 153649 57536 27879 S-1-pyrroline-5-carboxylate 368726 416876 386227 351528 795634 525623 522805 350269 811003 512182 562255 452464 518882 311696 538501 473262 140164 286582 221578 332469 527312 488321 333091 S-adenosylhomocysteine (SAH) 45196 221063 111339 111469 30134 46379 201110 114742 194458 77835 123413 137639 472185 222492 189173 136608 37951 31748 138464 52101 77449 80805 55967 69984 52290 33400 saccharopine 1197629 1152653 589022 1050917 1102946 898581 478398 821691 497273 596547 455141 769880 482820 960482 378162 650962 840042 772600 110889 1042099 292187 306442 103249 445512 179819 301728 84735 585367 154585 105415 salicylate 62998616 61602484 34607320 61359164 63703828 57079616 212548592 284688192 218918304 276295808 243333616 258309200 286256128 278668928 264122768 267163936 264196560 363117184 690436 1045643 474389 642674 408646 912371 845890 1922118 1859712 2467096 2045234 809349 1223936 355402 285940 507337 sebacate (C10-DC) 76659 96743 130285 82989 124251 113092 169156 128979 92132 147509 113674 176622 113512 193477 211453 79824 115383 123635 256261 310353 257349 221389 182794 138320 84344 69614 sedoheptulose-7-phosphate 104646 105724 506534 205063 131553 69382 53007 117723 131248 2562511 1085531 2120583 747002 876862 433148 1160811 272464 1285689 996568 149237 290856 serine 224503888 186541136 109129544 214206960 220849136 184815984 272395520 363752960 257341808 295610560 352631776 311282880 227929856 317557472 235695616 322393696 245288992 276023392 164828528 244436048 202569168 80795000 198959360 88886600 19203476 76412856 92490288 212276384 142190752 183745840 151285680 274853312 75053232 28161448 102119696 138151792 serotonin 131928 175410 37187 128346 134930 131856 105944 128185 73250 170205 279768 389521 294225 267158 260536 393533 103756 261317 144192 69063 88250 176936 86264 44480 142448 spermidine 2213560 1479839 962433 1689055 1248306 560076 3901803 2835422 4278837 1547605 1976650 3394521 5254316 1800115 6133575 3879152 7616618 9505188 476564 524325 775662 100878 552991 367560 108584 73222 179946 121565 228290 860018 1835609 665602 87438 1000167 741532 spermine 124423 97998 99704 60132 83681 86721 78207 179107 110241 190714 279448 117407 41790 sphingadienine 35025 98516 50803 54073 70585 204819 165937 92192 99339 90099 80206 135827 129668 96379 161807 144346 102503 95728 72428 134511 115141 242228 82220 45087 254427 sphinganine 282954 814086 153768 184133 372149 314882 486373 303356 252635 229507 175711 176962 624152 233590 390848 557720 501068 138839 219902 352046 582956 691308 175418 326046 156831 394157 sphingomyelin (d17:1/16:0, d18:1/15:0, d16:1/17:0)* 140886 914871 290877 189461 221697 422913 1946806 3598355 1071614 1211561 563633 1026191 2616651 2167359 2070945 2131744 3185087 2831374 207288 400296 108601 2242810 729910 3271622 2742945 728232 1156186 424912 246906 503581 638994 sphingomyelin (d18:1/14:0, d16:1/16:0)* 516975 2480231 570135 468618 709087 1046091 5357132 8518487 2910171 2521009 1514702 2545458 6929437 6220427 5823853 5441084 8982388 6767430 842107 857047 423883 121302 184159 482506 443245 5533050 2079533 6959883 6965873 1764037 2585129 1149868 746071 1209890 1282435 sphingomyelin (d18:1/17:0, d17:1/18:0, d19:1/16:0) 530438 65508 687619 1418104 394825 396568 180802 365450 1362685 988749 841952 785330 1375761 1293835 147896 158994 1021338 376034 1741889 1315555 677587 736595 282924 92405 194419 401780 sphingomyelin (d18:1/20:0, d16:1/22:0)* 554400 2269999 593588 499392 621586 1098787 3343954 6632008 1858941 2841105 1074836 2124704 5572837 4625606 4204355 4242896 6878658 6367398 566533 499722 218027 196330 3067952 1455737 4540608 4330522 1508491 2328734 883124 748017 1218533 1523974 sphingomyelin (d18:1/20:1, d18:2/20:0)* 447597 93074 93786 1253571 1973743 636983 547405 402062 675799 1666120 1518912 1375382 1225886 1581420 1644933 682390 327413 719928 834326 376447 904180 350101 197306 339664 387210 sphingomyelin (d18:1/22:1, d18:2/22:0, d16:1/24:1)* 476132 2821159 912648 618202 961007 1374190 6243708 9107320 3304307 2758383 1974086 3346478 7787952 7334091 6989536 6282366 8422929 8366612 692593 617088 126536 380380 5105616 1849203 6285811 6578852 2430019 5353405 1932348 1252008 2321796 2309858 sphingomyelin (d18:1/22:2, d18:2/22:1, d16:1/24:2)* 543271 928375 290932 140568 287438 1185427 888937 886005 647535 978997 1051887 489928 68537 655953 571317 303350 540400 222805 191833 212950 sphingomyelin (d18:1/24:1, d18:2/24:0)* 1810145 11553505 3426058 2181383 2924156 3573240 19503272 32654124 12339336 8925184 5397242 11722297 28727572 24166612 25175114 19738386 29703378 29194908 4122128 3015681 1100084 627364 735468 2940541 1895958 25061868 8084781 34905340 30261836 18819920 30107308 11770234 5299867 11764796 13539684 sphingomyelin (d18:2/16:0, d18:1/16:1)* 645418 2317159 841361 652870 976805 1143711 6367715 8457310 3564864 2675805 2102393 3206502 7645564 7716113 6709647 5894701 8426261 7191077 757656 749847 554534 156956 360752 703389 677597 5583144 1854552 5425431 6102218 2074287 3966751 1929475 1252761 1718223 1736472 sphingomyelin (d18:2/23:0, d18:1/23:1, d17:1/24:1)* 377747 71753 182817 2140893 3169315 928700 984415 205085 1083206 2686566 2833591 2256818 1926605 2765143 3021617 1249789 436408 2026700 2072839 514964 1493113 437198 124919 381019 448109 sphingomyelin (d18:2/24:1, d18:1/24:2)* 575395 3594763 1179767 817066 968898 1291013 9725499 13889257 5385876 3827993 2890755 4833327 13252057 12075930 10659007 9080840 12597400 12036740 1227704 1089378 482332 292376 951514 609829 8258684 2315839 11435248 10613225 8031014 12640781 5471144 2287184 5694006 6622361 sphingosine 166542 1401141 262148 481785 494229 343210 1436861 903952 413418 823643 618516 527488 967995 798571 783897 1327822 1543797 993529 453471 348492 213452 244404 445601 285696 322494 271181 1444757 420436 3416692 2710266 1307786 1375391 489054 358934 1934581 599425 stachydrine 8592407 7550107 4625280 8205910 8306887 7570320 30487920 43177436 33123294 38649136 33417902 35558088 36577984 39603672 37788204 35594052 35866872 53405228 6744376 8196757 9324732 1919542 7922757 3599538 5528303 6944631 23025906 20418028 20227090 32010410 23577616 35914616 14440856 2083446 12493689 19248100 stearate (18:0) 903790528 990031872 991165312 1314869760 1064855360 1203868032 2556041728 1559209216 1370400896 1852645504 1677544576 1598494080 1792298624 881317440 2019492352 1748911104 1334061824 1852703616 1347912064 1160832640 819579520 911650432 1258311808 1365940352 1117782400 1301323136 3132250112 2067478016 3123921408 3134336768 1415123840 2137222144 1249841280 904239936 988684160 1155086720 stearoyl sphingomyelin (d18:1/18:0) 912509 3081442 752925 703068 699297 1166286 5956847 14694749 3297027 4681692 1963485 3891640 12048355 9103015 8232728 8588525 13716754 12355076 1040376 934071 448981 366896 386179 4738274 2160189 8317091 6118743 1882247 2331246 1139564 928856 1177599 1647168 stearoyl-arachidonoyl-glycerol (18:0/20:4) [1]* 155464 3018673 524796 387603 482605 413062 11249535 15698049 4519176 2204936 1805854 3854602 14437829 15549653 11743891 11296470 16195576 8436483 778946 562519 361285 678404 1267808 204559 4043288 874871 6115755 5273720 1388355 449789 629474 stearoyl-arachidonoyl-glycerol (18:0/20:4) [2]* 107119 1790478 174393 199850 106318 7084553 10624186 3221761 1329774 1238619 2391744 10631874 11386580 8436112 7516398 12276636 6177035 1878917 1716229 888937 1616821 747496 2566289 383932 3950576 3677149 3107624 1069874 1114380 stearoyl-linoleoyl-glycerol (18:0/18:2) [2]* 123594 922897 389008 316421 392697 3209534 3033023 1335224 1066017 1084807 1644345 3591039 3488288 2494696 1830547 3149041 2256583 637468 916720 377362 960770 1252442 1731700 449901 1819302 601203 636134 634353 stearoylcarnitine (C18) 207316 593180 265775 391977 257208 243099 1369541 2671281 1361560 350861 433494 947023 2822606 1887969 3054309 1308658 2022657 2305358 845869 281087 220200 161557 148607 202438 238812 358104 798529 2042745 752138 776181 265632 2570310 309432 430781 226347 283147 succinate 28401420 38197056 16781064 29137832 31369672 34228912 72764568 107184664 56547096 38895060 38057696 47175364 68637720 81462088 76855192 64518828 49924908 51836576 60072968 142213248 78640904 31737478 58516692 23751540 27157502 48125476 119850720 194487152 89015056 102948240 73013968 127990480 37862292 13537252 27872096 40930504 sulfate* 72769424 59694896 37260608 65389280 67130360 54659992 76429896 97911112 83676896 75673064 90805008 89181184 85798448 87834048 88117392 85993312 88705128 90623704 73948064 84651208 99930648 26931392 83967608 49894208 31157206 34502708 96667816 91538544 95825720 113828336 84124912 108349920 58188100 14039696 51545820 71662888 taurine 212447264 210282992 110163888 147400288 154898064 139143536 312173056 369425728 284547808 159902144 179780288 244534736 379935552 342099840 342042304 282797824 342500000 388361312 337893856 399944832 241807536 11328391 244932672 115608352 110502848 120972032 254172960 196761040 152455184 287655232 148529344 337442400 135340128 3889520 34865196 161429520 tetradecadienoate (14:2)* 2451031 2267789 2471014 2021682 2239097 1968752 12686825 20415660 12478029 3384531 5725936 6481395 31980672 33338992 28563740 15541213 22962586 16694656 1070325 3310102 1133072 340023 1105062 610111 567319 1349134 2368857 3417305 994665 1889539 2802004 4180847 624608 282063 1503309 599923 thiamin (Vitamin B1) 5083762 4362389 2363817 2499660 3073897 1978232 2818462 6479263 2895230 1154526 1568956 1474890 6481850 7982297 5210537 4460286 6147025 4883846 11480969 14637717 15908275 3688691 13775204 8083231 139592 224679 252345 514381 269597 625830 10407323 16080936 5791945 810497 5599806 9136766 thioproline 61740896 77959560 20207876 54345564 33522400 28016368 41326812 141648528 39303244 19673348 21046740 31316714 89431168 186502464 55133868 145747248 79057464 67293312 198200144 196220144 193133520 8508388 116170784 87965784 8757240 9415682 38187388 16054496 15207154 16060863 24403598 149093104 88575536 467602 13572382 101598952 threonate 10069760 8595111 4351608 7190047 9108115 8610019 27059830 36415064 30051272 33578080 27596296 27232990 31756104 29085952 27760954 33291826 33252684 43623808 5150592 6230895 7016188 1038829 5461910 2367616 2008682 2849286 10176002 7969257 9524839 12028727 13401332 21274056 7333033 602831 5938930 9600885 threonine 401851392 313668608 183082880 365817696 381216800 308221184 443774144 632364736 453060192 436011776 558158592 481379584 453188512 565469440 442597440 516380544 492473280 508839520 337294528 483458720 390539104 111562488 377820768 172947584 49617188 116867448 223999552 351945600 311702496 414512832 360403424 605752512 193622288 33343202 202144976 313837664 thymol sulfate 137497 274364 151318 129299 143477 227301 203246 215331 123770 154092 213396 246912 46472 29025 46038 27519 51662 125054 93264 81786 173950 hydroxyproline 720426816 591456576 378643008 631449984 672809472 575376960 782993408 1050830528 835169216 705153408 875530048 837192064 863535424 947236928 900941440 880218176 864609792 898446528 687100352 822479104 877489856 244234672 763140864 443713952 213666720 270131520 655373568 653481216 678965504 835332544 722506368 1008678208 476336256 118031680 429131232 642832448 tricosanoyl sphingomyelin (d18:1/23:0)* 399153 1706909 323852 284498 328201 575622 2478756 5110701 1212254 1901484 590639 1385789 4129975 3003289 3134795 2794474 4168600 4724570 537408 337086 234728 2273877 1119315 3881539 3146677 1372221 1603208 626091 388950 832982 1250728 tridecenedioate (C13:1-DC)* 102151 81027 90170 83142 55967 83360 125291 109452 133752 134848 75605 78532 84183 97515 72528 125903 91039 106479 73754 71911 94050 100945 trigonelline (N'-methylnicotinate) 4173692 3734550 2080382 3639937 3810244 3803194 7766729 11118012 7611660 9256490 7550003 8692090 8492681 9650298 9329288 8451342 9287499 11758964 7772805 10455811 10425375 2060935 8656628 4239285 1928022 3143603 8513222 7917632 7992489 11706562 9995776 14708628 5726110 888840 4770388 7709746 trimethylamine N-oxide 1119728 807907 495964 933881 925169 707220 1158518 1853195 1372873 1455473 1376926 1211037 1508420 1657292 1617839 1564285 1578199 2177145 957907 1555792 1034176 433003 1209429 726737 595960 566394 1163645 1867118 2247018 2164263 1140658 1807850 627618 73598 593715 942130 tryptophan 171755088 10268458 77673600 106410376 161947776 132246480 187821040 6141658 167282224 40390316 215129424 192974832 157082208 6440656 153244512 6902454 151873440 182681936 107058840 6710872 116088496 1738823 123902168 59535464 15837209 291114 64953656 1178228 106952200 152200016 122180288 1042366 63839296 408385 70003256 107809256 tryptophan betaine 5742647 5545900 2807321 4818227 5210021 4723638 4304924 6223179 4480553 4092233 4103109 4921128 5349734 6852880 5960546 5261667 5875502 7570670 1468885 2328418 2044579 339972 1571751 783103 2416032 3976290 9157617 7043001 7275880 12798833 14315003 26798090 8963798 1119341 7255654 12549050 tyrosine 203833888 148730688 90866824 180035888 191666304 150407008 234571280 350471616 250962480 229848800 320808160 262272496 262145776 293890304 238071648 260327152 289447456 292383360 174370416 262054624 192994096 46526500 188997440 89389544 26238038 70392136 129756936 182960464 185277872 255498480 186318288 333617664 92133680 15596539 102622896 160404352 UDP-galactose 83131 91647 53314 34702 61956 56991 113221 77497 175817 50547 267807 145957 520075 154713 281882 339542 246894 37375 33789 328397 208823 379376 54712 98308 66601 UDP-glucose 311071 251013 155853 175728 216964 168607 326060 242250 502415 79221 71169 178995 752220 321174 1155307 402472 638210 682688 31972 162160 571749 203285 191085 96819 787387 517717 805345 232466 320924 255416 UDP-glucuronate 57240 66860 47609 27569 282497 279027 729567 185818 226678 273506 503113 504841 1442760 467561 1073141 878239 100668 243659 39896 54344 41228 381098 83648 209297 351430 181693 UDP-N-acetylglucosamine/galactosamine 523488 325401 301042 251300 353673 288313 651621 974166 746032 166362 274428 579270 1161588 889752 1252469 694130 863850 988325 438173 513998 587697 251925 554343 330012 1290046 1502480 1468566 795413 259042 334083 uracil 237947 268094 140869 144209 2720853 3863389 1248759 607988 303921 379830 2487896 673261 173483 276453 126482 1935142 2583843 2024168 422469 891359 851097 1154572 294221 139963 724618 urate 16800828 15290059 10339861 15967483 15206530 14745240 13763693 18175712 15455371 17771076 15987905 16878468 16030013 18581692 17614114 17100188 16858032 22719446 13652974 15007556 18921676 5336071 15530229 9429018 3769171 5782036 11268502 10445948 9586049 14984446 15284742 19958744 11639587 2722333 9320095 16420291 urea 21106464 20214164 10392208 22612334 20212668 19365564 19800098 27024332 20982292 24247468 22546756 23393724 21907180 26897942 24186376 24313288 25031418 30171662 23408950 30009242 30315288 7257249 24530378 14656984 4157991 7035080 13819639 15406839 14164045 20250856 28670992 45367784 18388630 3449223 16407219 23650568 uridine 1951891 2380713 1224846 2395817 1620833 1042918 4554514 3530561 3509762 5105749 3768171 3277691 4104841 3817500 3464796 4688024 3982660 4491409 6231175 7630805 6256081 808880 3675378 3767618 2879611 2008491 2242055 1523684 3181153 3648118 2677539 3816599 1918508 232256 1388819 2495282 uridine 5'-diphosphate (UDP) 4556901 2842795 2566009 1863470 3449820 2548078 1957220 1800287 3883931 895517 1171554 3009991 3955881 2932652 6337281 2452125 5314286 4742785 286037 296238 1255137 336659 2705093 981774 4459754 4795630 4999192 566997 1516615 750997 UMP 735764 967828 396233 490199 642448 408374 2157492 1266339 2711373 586548 783651 1895222 2119249 963124 2486431 1295409 2001514 2025648 864684 1014587 2510536 736459 939744 376436 3599397 2688576 2398599 244671 130867 344877 uridine 5'-triphosphate (UTP) 5916361 1905812 2784381 1754300 3853373 3479384 824729 540955 1481703 429083 266017 909157 2555845 1477824 3954408 1168295 3019499 2324819 155536 123962 1801449 874399 1328436 1300726 1551689 126280 1134398 419790 valerate (5:0) 489050 443177 421713 538998 425515 321794 641997 635913 721229 1165134 646901 768156 3875250 3259909 5570729 3384351 valine 733488256 560765248 322363776 661892736 682271936 555127104 808428992 1138742400 804988032 739423872 1014004608 879968768 801179456 978718976 899864512 915726848 594584128 892872768 699174720 181762656 688766336 314795296 89161448 196508896 387796928 705336576 607495232 809461312 669234368 1251440256 341600352 62248508 376961888 610758528 xanthine 1346788 1679161 1155838 1655022 1434677 1727147 11181155 7212622 4571786 17305676 13937618 7722872 4594963 9994522 5218120 7330095 3918340 6114979 4109837 16521863 3055002 3988839 8909050 2278079 1159304 8696537 2518433 13454530 2329378 2889612 11246289 24431590 3844292 1897606 8403619 7073529 xanthosine 56135 38563 29802 553968 583134 874585 250124 387712 737766 939192 600392 1227045 360644 533167 634183 290750 105607 69448 116098 59321 63726 99476 96614 120781 59387 48280 xanthosine 5'-monophosphate (xmp) 1874401 878631 1235053 86674 220816 197060 1022922 194707 137833 151684 87437 76943 95756 130002 MS_METABOLITE_DATA_END #METABOLITES METABOLITES_START metabolite_name KEGG PUBCHEM (2 or 3)-decenoate (10:1n7 or n8) (S)-3-hydroxybutyrylcarnitine 1,2-dilinoleoyl-GPC (18:2/18:2) 5288075 1,2-dioleoyl-GPC (18:1/18:1) 10350317 1,2-dioleoyl-GPE (18:1/18:1) 9546757 1,2-dipalmitoyl-GPC (16:0/16:0) 452110 1,2-dipalmitoyl-GPE (16:0/16:0)* 445468 1,5-anhydroglucitol (1,5-AG) C07326 64960 1-(1-enyl-palmitoyl)-2-arachidonoyl-GPE (P-16:0/20:4)* 1-(1-enyl-palmitoyl)-2-linoleoyl-GPC (P-16:0/18:2)* 1-(1-enyl-palmitoyl)-2-linoleoyl-GPE (P-16:0/18:2)* 1-(1-enyl-palmitoyl)-2-oleoyl-GPC (P-16:0/18:1)* 1-(1-enyl-palmitoyl)-2-oleoyl-GPE (P-16:0/18:1)* 1-(1-enyl-palmitoyl)-2-palmitoleoyl-GPC (P-16:0/16:1)* 1-(1-enyl-palmitoyl)-2-palmitoyl-GPC (P-16:0/16:0)* 11146967 1-(1-enyl-palmitoyl)-GPE (P-16:0)* 1-(1-enyl-stearoyl)-2-arachidonoyl-GPE (P-18:0/20:4)* 9547058 1-(1-enyl-stearoyl)-2-oleoyl-GPE (P-18:0/18:1) 1-arachidonoyl-GPE (20:4n6)* 42607465 1-arachidonylglycerol (20:4) C13857 5282281 1-carboxyethylisoleucine 1-carboxyethylleucine 1-carboxyethylphenylalanine 1-carboxyethyltyrosine 1-carboxyethylvaline 1-dihomo-linolenylglycerol (20:3) 1-linoleoyl-2-arachidonoyl-GPC (18:2/20:4n6)* 1-linoleoyl-GPC (18:2) C04100 11988421 1-methyl-4-imidazoleacetate C05828 75810 1-methyl-5-imidazoleacetate 6451814 1-methylhistidine C01152 92105 1-methylnicotinamide C02918 10129985 1-myristoyl-2-arachidonoyl-GPC (14:0/20:4)* 1-myristoyl-2-palmitoyl-GPC (14:0/16:0) 129657 1-myristoylglycerol (14:0) C01885 79050 1-oleoyl-2-docosahexaenoyl-GPC (18:1/22:6)* 1-oleoyl-2-linoleoyl-GPC (18:1/18:2)* 1-oleoyl-2-linoleoyl-GPE (18:1/18:2)* 9546753 1-oleoyl-GPC (18:1) 16081932 1-oleoylglycerol (18:1) 5283468 1-palmitoleoyl-GPC* (16:1)* 24779461 1-palmitoyl-2-arachidonoyl-GPC (16:0/20:4n6) 10747814 1-palmitoyl-2-arachidonoyl-GPE (16:0/20:4)* 9546800 1-palmitoyl-2-docosahexaenoyl-GPC (16:0/22:6) 6441886 1-palmitoyl-2-docosahexaenoyl-GPE (16:0/22:6)* 9546799 1-palmitoyl-2-linoleoyl-GPC (16:0/18:2) 5287971 1-palmitoyl-2-linoleoyl-GPE (16:0/18:2) 9546747 1-palmitoyl-2-oleoyl-GPC (16:0/18:1) 6436017 1-palmitoyl-2-oleoyl-GPE (16:0/18:1) 5283496 1-palmitoyl-2-palmitoleoyl-GPC (16:0/16:1)* 1-palmitoyl-2-stearoyl-GPC (16:0/18:0) 1-palmitoyl-GPC (16:0) 86554 1-palmitoyl-GPE (16:0) 9547069 1-palmitoylglycerol (16:0) 14900 1-ribosyl-imidazoleacetate* C05131 5117448 1-stearoyl-2-arachidonoyl-GPC (18:0/20:4) 16219824 1-stearoyl-2-arachidonoyl-GPE (18:0/20:4) 5289133 1-stearoyl-2-arachidonoyl-GPI (18:0/20:4) 1-stearoyl-2-arachidonoyl-GPS (18:0/20:4) 1-stearoyl-2-docosahexaenoyl-GPC (18:0/22:6) 1-stearoyl-2-linoleoyl-GPC (18:0/18:2)* 1-stearoyl-2-linoleoyl-GPE (18:0/18:2)* 9546749 1-stearoyl-2-linoleoyl-GPS (18:0/18:2) 9547091 1-stearoyl-2-oleoyl-GPC (18:0/18:1) 1-stearoyl-2-oleoyl-GPE (18:0/18:1) 1-stearoyl-2-oleoyl-GPS (18:0/18:1) 9547087 1-stearoyl-GPC (18:0) 497299 1-stearoyl-GPE (18:0) 9547068 1-stearoyl-GPI (18:0) 1-stearoylglycerol (18:0) D01947 24699 2,3-dihydroxyisovalerate C04039 677 2,6-dihydroxybenzoic acid 9338 2-aminophenol sulfate 181670 2-hydroxy-3-methylvalerate 164623 2-hydroxyacetaminophen sulfate* 86290013 2-hydroxybutyrate/2-hydroxyisobutyrate 2-hydroxyglutarate C02630 43 2-hydroxyhippurate (salicylurate) C07588 10253 2-methoxyacetaminophen glucuronide* 14367271 2-methoxyacetaminophen sulfate* 86290014 2-methylbutyrylcarnitine (C5) 6426901 2-myristoylglycerol (14:0) 137938 2-oxoarginine* C03771 558 2-palmitoyl-GPC* (16:0)* 15061532 2-palmitoylglycerol (16:0) 123409 2R,3R-dihydroxybutyrate 2S,3R-dihydroxybutyrate 10964471 3,4-dihydroxybutyrate 3-(4-hydroxyphenyl)lactate (HPLA) C03672 9378 3-(methylthio)acetaminophen sulfate* 3-(N-acetyl-L-cystein-S-yl) acetaminophen 83967 3-amino-2-piperidone 5200225 3-aminoisobutyrate C05145 64956 3-carboxy-4-methyl-5-propyl-2-furanpropanoate (CMPF) 123979 3-formylindole C08493 10256 3-hydroxy-3-methylglutarate C03761 1662 3-hydroxybutyrate (BHBA) C01089 441 3-hydroxydecanoate 26612 3-hydroxydecanoylcarnitine 3-hydroxyhexanoate 151492 3-hydroxyhippurate 450268 3-hydroxyisobutyrate C06001 87 3-hydroxylaurate 94216 3-hydroxyoctanoate 26613 3-hydroxypyridine sulfate 3-indoxyl sulfate 10258 3-methyl-2-oxobutyrate C00141 49 3-methyl-2-oxovalerate C00671 47 3-methylglutaconate 1551553 3-methylhistidine C01152 64969 3-phosphoglycerate C00597 724 3-sulfo-L-alanine C00506 72886 3-ureidopropionate C02642 111 4-acetamidobenzoate D03836 19266 4-acetamidobutanoate C02946 18189 4-acetamidophenol C06804 1983 4-acetamidophenylglucuronide 83944 4-acetaminophen sulfate C06804 83939 4-guanidinobutanoate C01035 500 4-hydroxyphenylpyruvate C01179 979 4-imidazoleacetate C02835 96215 4-methyl-2-oxopentanoate C00233 70 4-methylbenzenesulfonate C06677 6101 4-methylcatechol sulfate 4-quinolinecarboxylic acid C06414 10243 4-vinylphenol sulfate C05627 6426766 5,6-dihydrothymine C00906 93556 5,6-dihydrouracil C00429 649 5,6-dihydrouridine 94312 5-(galactosylhydroxy)-L-lysine 5-aminovalerate C00431 138 5-dodecenoate (12:1n7) 5312378 5-dodecenoylcarnitine (C12:1) 5-methylthioadenosine (MTA) C00170 439176 5-oxoproline C01879 7405 5alpha-androstan-3beta,17beta-diol disulfate C12525 242332 6-phosphogluconate C00345 91493 7-methylguanine C02242 11361 acetylcarnitine (C2) C02571 1 acetylphosphate C00227 186 aconitate [cis or trans] adenine C00147 190 adenosine C00212 60961 adenosine 3',5'-cyclic monophosphate (cAMP) C00575 6076 ADP C00008 6022 AMP C00020 6083 AICA ribonucleotide C04677 65110 alanine C00041 5950 allantoin C02350 204 alpha-hydroxyisocaproate C03264 83697 alpha-hydroxyisovalerate 99823 alpha-ketoglutaramate* alpha-ketoglutarate C00026 51 alpha-tocopherol C02477 14985 androstenediol (3beta,17beta) disulfate (1) C04295 87120982 androstenediol (3beta,17beta) disulfate (2) C04295 87120982 androstenediol (3beta,17beta) monosulfate (1) 13847309 androsterone sulfate 159663 arabitol/xylitol C01904 6912 arabonate/xylonate arginine C00062 232 argininosuccinate C03406 828 asparagine C00152 6267 aspartate C00049 5960 azelate (nonanedioate; C9) C08261 2266 behenoyl sphingomyelin (d18:1/22:0)* benzoate C00180 243 beta-alanine C00099 239 beta-citrylglutamate C20775 72715786 beta-hydroxyisovalerate 69362 betaine C00719 247 betonicine C08269 164642 bilirubin (E,E)* 5315454 bilirubin C00486 5280352 biotin C00120 171548 branched-chain, straight-chain, or cyclopropyl 10:1 fatty acid (1)* butyrate (4:0) C00246 264 butyrylcarnitine (C4) C02862 439829 C-glycosyltryptophan 10981970 caprate (10:0) C01571 2969 caproate (6:0) C01585 8892 caprylate (8:0) C06423 379 carnitine C00318 10917 carotene diol (1) catechol sulfate 3083879 ceramide (d18:1/14:0, d16:1/16:0)* ceramide (d18:2/24:1, d18:1/24:2)* cholesterol C00187 11025495 choline C00114 305 phosphocholine C00588 1014 cis-4-decenoate (10:1n6)* 5312351 cis-4-decenoylcarnitine (C10:1) citrate C00158 311 citrulline C00327 9750 CoA-glutathione* C00920 11953788 creatine C00300 586 creatine phosphate C02305 587 creatinine C00791 588 cysteine C00097 5862 cysteine-glutathione disulfide 4247235 cysteinylglycine C01419 439498 cysteinylglycine disulfide* cystine C00491 67678 cytidine C00475 6175 CDP-choline C00307 13804 CMP C00055 6131 cytidine diphosphate C00112 6132 cytidine triphosphate C00063 6176 CDP-ethanolamine C00570 123727 cytosine C00380 597 decanoylcarnitine (C10) 10245190 dehydroepiandrosterone sulfate (DHEA-S) C04555 12594 delta-tocopherol C14151 92094 deoxycarnitine C01181 134 deoxycholate C04483 222528 diglycerol 42953 dihydroxyacetone phosphate (DHAP) C00111 668 dimethylarginine (ADMA + SDMA) C03626 123831 dimethylglycine C01026 673 docosahexaenoate (DHA; 22:6n3) C06429 445580 dodecadienoate (12:2)* dodecanedioate (C12) C02678 12736 eicosapentaenoate (EPA; 20:5n3) C06428 446284 epiandrosterone sulfate 9929317 ergothioneine C05570 3032311 erythronate* 2781043 ethyl alpha-glucopyranoside 428040 Fibrinopeptide B (1-11) FAD C00016 643975 folate C00504 6037 fructose C00095 5984 Isobar: hexose diphosphates C00354 fructosyllysine 123708 fumarate C00122 444972 gamma-glutamyl-alpha-lysine 65254 gamma-glutamyl-epsilon-lysine 7015685 gamma-glutamylalanine 440103 gamma-glutamylglutamate C05282 92865 gamma-glutamylglutamine C05283 150914 gamma-glutamylhistidine 7017195 gamma-glutamylisoleucine* 14253342 gamma-glutamylleucine 151023 gamma-glutamylmethionine 7009567 gamma-glutamylphenylalanine 111299 gamma-glutamylthreonine 76078708 gamma-glutamyltyrosine 94340 gamma-glutamylvaline 7015683 gamma-tocopherol/beta-tocopherol gluconate C00257 10690 glucosamine-6-phosphate C00352 439217 glucose C00031 79025 glucuronate C00191 444791 glutamate C00025 611 glutamate, gamma-methyl ester 68662 glutamine C00064 5961 glutarate (C5-DC) C00489 743 glutathione, oxidized (GSSG) C00127 65359 glycerate C00258 752 glycerol C00116 753 glycerol 3-phosphate C00093 754 glycerophosphoethanolamine C01233 123874 glycerophosphoglycerol C03274 439964 glycerophosphoinositol* 167572 glycerophosphorylcholine (GPC) C00670 71920 glycerophosphoserine* 3081457 glycine C00037 750 glycochenodeoxycholate C05466 12544 glycocholenate sulfate* glycosyl-N-palmitoyl-sphingosine (d18:1/16:0) glycylleucine C02155 92843 glycylvaline 97417 guaiacol sulfate 22473 guanidinoacetate C00581 763 guanine C00242 764 guanosine C00387 6802 guanosine 5'- diphosphate (GDP) C00035 8977 5'- GMP C00144 6804 gulonate* C00257 9794176 hexanoylcarnitine (C6) 6426853 hippurate C01586 464 histidine C00135 6274 homoarginine C01924 9085 homoserine lactone C02926 445963 homostachydrine* C08283 441447 hydroxy-CMPF* hypotaurine C00519 107812 hypoxanthine C00262 790 imidazole lactate C05568 440129 imidazole propionate 70630 indoleacetate C00954 802 indolelactate C02043 92904 indolepropionate 3744 inosine C00294 6021 inosine 5'-monophosphate (IMP) C00130 8582 isocitrate C00311 1198 isoleucine C00407 6306 isoleucylglycine 342532 isovalerate (C5) C08262 10430 isovalerylglycine 546304 itaconate C00490 811 kynurenate C01717 3845 kynurenine C00328 161166 lactate C00186 612 laurylcarnitine (C12) 10427569 leucine C00123 6106 leucylglutamine* 4305457 leucylglycine 79070 lignoceroyl sphingomyelin (d18:1/24:0) linoleoyl-linoleoyl-glycerol (18:2/18:2) [1]* linoleoylcarnitine (C18:2)* 6450015 linoleoylcholine* lysine C00047 5962 malate C00149 525 maleate C01384 444266 maltose C00208 10991489 maltotetraose C02052 446495 maltotriose C01835 439586 mannitol/sorbitol C00794 5780 mannonate* 3246006 margaroylcarnitine (C17)* methionine C00073 6137 methionine sulfoxide C02989 158980 methylmalonate (MMA) C02170 487 methylphosphate 13130 methylsuccinate 10349 myo-inositol C00137 892 myristoleoylcarnitine (C14:1)* 90659872 myristoylcarnitine (C14) 6426854 N('1)-acetylspermidine C00612 496 N(1)-acetylspermine C02567 916 N,N,N-trimethyl-5-aminovalerate N,N,N-trimethyl-alanylproline betaine (TMAP) N-(2-furoyl)glycine 21863 N-acetylalanine C02847 88064 N-acetylarginine C02562 67427 N-acetylasparagine 99715 N-acetylaspartate (NAA) C01042 65065 N-acetylglucosamine/N-acetylgalactosamine 24139 N-acetylglucosaminylasparagine C04540 123826 N-acetylglutamate C00624 70914 N-acetylglutamine C02716 182230 N-acetylglycine 10972 N-acetylhistidine C02997 75619 N-acetylisoleucine 2802421 N-acetylleucine C02710 70912 N-acetylmethionine C02712 448580 N-acetylneuraminate C00270 439197 N-acetylphenylalanine C03519 74839 N-acetylputrescine C02714 122356 N-acetylserine 65249 N-acetyltaurine 159864 N-acetylthreonine 152204 N-acetyltyrosine 68310 N-acetylvaline 66789 N-formylanthranilic acid C05653 101399 N-formylmethionine C03145 439750 N-formylphenylalanine 759256 N-methylproline 557 N-palmitoyl-sphingosine (d18:1/16:0) 5283564 N-stearoyl-sphingosine (d18:1/18:0)* 5283565 N1,N12-diacetylspermine C03413 132680 N1-Methyl-2-pyridone-5-carboxamide C05842 69698 N1-Methyl-4-pyridone-3-carboxamide C05843 440810 1-methyladenosine C02494 27476 N2,N2-dimethylguanosine 92919 N6,N6,N6-trimethyllysine C03793 440120 N6-methyllysine C02728 164795 nicotinamide C00153 936 NAD+ C00003 5893 NADH C00004 439153 nicotinamide ribonucleotide (NMN) C00455 14180 O-sulfo-L-tyrosine 514186 octadecenedioate (C18:1-DC)* octanoylcarnitine (C8) C02838 123701 oleoyl-arachidonoyl-glycerol (18:1/20:4) [2]* oleoyl-linoleoyl-glycerol (18:1/18:2) [1] oleoyl-linoleoyl-glycerol (18:1/18:2) [2] oleoyl-oleoyl-glycerol (18:1/18:1) [1]* oleoylcarnitine (C18) 6441392 oleoylcholine ophthalmate 7018721 ornithine C00077 6262 orotate C00295 967 orotidine 92751 p-cresol sulfate 4615423 palmitoleoylcarnitine (C16:1)* 71464547 palmitoyl dihydrosphingomyelin (d18:0/16:0)* 9939965 palmitoyl sphingomyelin (d18:1/16:0) 9939941 palmitoyl-arachidonoyl-glycerol (16:0/20:4) [1]* palmitoyl-linoleoyl-glycerol (16:0/18:2) [1]* 9543695 palmitoyl-linoleoyl-glycerol (16:0/18:2) [2]* palmitoyl-myristoyl-glycerol (16:0/14:0) [1]* palmitoyl-myristoyl-glycerol (16:0/14:0) [2] palmitoyl-oleoyl-glycerol (16:0/18:1) [1]* C13861 palmitoyl-oleoyl-glycerol (16:0/18:1) [2]* C13861 palmitoyl-palmitoyl-glycerol (16:0/16:0) [1]* palmitoyl-palmitoyl-glycerol (16:0/16:0) [2]* palmitoylcarnitine (C16) C02990 461 palmitoylcholine 151731 pantothenate (Vitamin B5) C00864 6613 phenol red C12600 4766 phenol sulfate C02180 74426 phenylacetylglutamine C04148 92258 phenylalanine C00079 6140 phenyllactate (PLA) C05607 3848 phenylpyruvate C00166 997 phosphate C00009 1061 phosphoenolpyruvate (PEP) C00074 1005 phosphoethanolamine (PE) C00346 1015 pipecolate C00408 849 piperine C03882 638024 pregnen-diol disulfate* pregnenediol sulfate (C21H34O5S)* pregnenetriol disulfate* pregnenetriol sulfate* prolylhydroxyproline 11673055 proline C00148 145742 prolylglycine 6426709 propionylcarnitine (C3) C03017 107738 pseudouridine C02067 15047 putrescine C00134 1045 pyridoxal C00250 1050 pyridoxamine C00534 1052 pyridoxate C00847 6723 pyridoxine (Vitamin B6) C00314 1054 pyroglutamine* 134508 pyruvate C00022 1060 quinate C00296 6508 quinolinate C03722 1066 retinol (Vitamin A) C00473 445354 ribitol C00474 6912 ribonate C01685 5460677 ribulonate/xylulonate/lyxonate* S-(1,2-dicarboxyethyl)glutathione 9802383 S-1-pyrroline-5-carboxylate C04322 1196 S-adenosylhomocysteine (SAH) C00021 439155 saccharopine C00449 160556 salicylate C00805 338 sebacate (C10-DC) C08277 5192 sedoheptulose-7-phosphate C05382 616 serine C00065 5951 serotonin C00780 5202 spermidine C00315 1102 spermine C00750 1103 sphingadienine 6449795 sphinganine C00836 3126 sphingomyelin (d17:1/16:0, d18:1/15:0, d16:1/17:0)* sphingomyelin (d18:1/14:0, d16:1/16:0)* 11433862 sphingomyelin (d18:1/17:0, d17:1/18:0, d19:1/16:0) sphingomyelin (d18:1/20:0, d16:1/22:0)* sphingomyelin (d18:1/20:1, d18:2/20:0)* sphingomyelin (d18:1/22:1, d18:2/22:0, d16:1/24:1)* sphingomyelin (d18:1/22:2, d18:2/22:1, d16:1/24:2)* sphingomyelin (d18:1/24:1, d18:2/24:0)* sphingomyelin (d18:2/16:0, d18:1/16:1)* sphingomyelin (d18:2/23:0, d18:1/23:1, d17:1/24:1)* sphingomyelin (d18:2/24:1, d18:1/24:2)* sphingosine C00319 5353955 stachydrine C10172 115244 stearate (18:0) C01530 5281 stearoyl sphingomyelin (d18:1/18:0) C00550 6453725 stearoyl-arachidonoyl-glycerol (18:0/20:4) [1]* stearoyl-arachidonoyl-glycerol (18:0/20:4) [2]* stearoyl-linoleoyl-glycerol (18:0/18:2) [2]* stearoylcarnitine (C18) 6426855 succinate C00042 1110 sulfate* C00059 1118 taurine C00245 1123 tetradecadienoate (14:2)* 5312409 thiamin (Vitamin B1) C00378 1130 thioproline 93176 threonate C01620 151152 threonine C00188 6288 thymol sulfate C09908 hydroxyproline C01157 5810 tricosanoyl sphingomyelin (d18:1/23:0)* tridecenedioate (C13:1-DC)* trigonelline (N'-methylnicotinate) C01004 5570 trimethylamine N-oxide C01104 1145 tryptophan C00078 6305 tryptophan betaine C09213 442106 tyrosine C00082 6057 UDP-galactose C00052 18068 UDP-glucose C00029 8629 UDP-glucuronate C00167 17473 UDP-N-acetylglucosamine/galactosamine uracil C00106 1174 urate C00366 1175 urea C00086 1176 uridine C00299 6029 uridine 5'-diphosphate (UDP) C00015 6031 UMP C00105 6030 uridine 5'-triphosphate (UTP) C00075 6133 valerate (5:0) C00803 7991 valine C00183 6287 xanthine C00385 1188 xanthosine C01762 64959 xanthosine 5'-monophosphate (xmp) C00655 73323 METABOLITES_END #END