metabolite_name UNMN-01552 UNMN-01553 UNMN-01554 UNMN-01555 UNMN-01556 UNMN-01557 UNMN-01558 UNMN-01559 UNMN-01560 UNMN-01561 UNMN-01562 UNMN-01563 UNMN-01564 UNMN-01565 UNMN-01566 UNMN-01567 UNMN-01568 UNMN-01569 UNMN-01570 UNMN-01571 UNMN-01572 UNMN-01573 UNMN-01574 UNMN-01575 UNMN-01576 UNMN-01577 UNMN-01578 UNMN-01579 UNMN-01580 UNMN-01581 UNMN-01582 UNMN-01583 UNMN-01584 UNMN-01585 UNMN-01586 UNMN-01587 UNMN-01588 UNMN-01589 UNMN-01590 UNMN-01591 UNMN-01592 UNMN-01593 UNMN-01594 UNMN-01595 UNMN-01596 UNMN-01597 UNMN-01598 UNMN-01599 spermidine 33033134 65259575 11133155 10700098 27228194 29519608 60180417 27870737 14556171 26987739 32232387 28478155 23021104 12628460 12001957 11999815 15482919 36108075 22303601 27496006 13333318 33830796 18439128 20340712 10273017 10705163 27232983 12375043 21687427 25134711 31255822 14789533 13981309 24515211 115616784 11235677 14989011 28863151 35211865 23579080 44183936 25218337 29169370 20851881 27153295 17687908 32612681 35308015 hypoxanthine 160948 162434 103390 184220 87196 258119 201994 166379 150894 61411 72313 369361 213987 170949 179316 101286 109428 174844 585536 311957 32381928 183992 166974 153183 N6,N6,N6-trimethyllysine 210307514 273770103 78596137 91330056 314708280 286111326 322424910 228241754 136946477 156557660 129765012 152313940 183609665 115605081 111745040 121509035 96431905 379216426 240936401 273666617 210518151 150059558 199669443 124426267 113864561 129009926 144263787 125209594 303205344 315769619 274242077 144826159 122358579 162526761 350763178 145845708 152769590 113642520 168004220 184942441 166973278 289688083 310058243 269871154 303194345 127625922 181632805 155369268 5-methylthioadenosine (MTA) 5531159 2744668 3403648 1962321 15305084 11298164 4614056 9175780 5182405 5014264 2798994 4158016 4460156 4799538 5646687 4340603 5397261 11120827 10795625 6183784 14256277 4841338 7700800 4941370 4406504 3727081 3066361 3631931 18755180 14770359 13420374 4454730 4312963 4536167 2885945 6441222 3859072 2108495 3823751 2247157 9543757 9996053 9985757 14606884 15819489 3528732 2040861 3702844 carnosine 299354974 152771338 74734422 73580616 1422452037 805917979 1309224644 1831614284 403178516 284503478 202676834 315584135 65897479 155315983 109697839 63741471 43636645 4956289357 3039903375 2814631328 1276681272 443302284 3199908691 655071163 172846698 86434686 83874794 78208096 638356654 975768993 443257365 910667349 386329042 137837098 918035821 247999107 85190504 105277465 107076117 25018403 252819229 3619610908 1765914146 3335876381 3825305803 235987328 361509870 239860421 histamine 2272747 2325249 830455 756419 1309347 1385404 1552496 943677 1110668 1929569 1674353 1810838 600624 1093705 961850 834371 2954693 947408 1341063 1101677 1527560 2404166 2215445 1279900 1951632 1092808 1335177 1361982 921898 1127233 1285902 1109370 742025 620580 2381758 467495 851492 2771671 1216656 833036 1251263 1505392 2284636 3922819 1395073 747567 2062592 isoleucine 1306590042 1328664946 1902534560 1169794788 1554981318 1096948174 1621626546 1624340391 1322412073 1255945032 1160575102 1296645625 1251392742 2030686280 1734700769 1857529381 2095709375 2312584083 1794393341 2020218189 1537111434 1665912499 2191722584 1897443034 1226951273 1314100333 1928270300 1275421166 1501592533 1180504421 2121958192 1415488399 1704239551 1095200064 1347190225 1307425386 2495402706 2126161204 1548719873 1939067222 1967365232 1898632168 1808219203 2493535026 2230635974 2212964806 1998978245 1542779146 leucine 2235774125 1837545055 2471895080 1934457582 2412113490 1788368495 2283088805 2548647099 1913325535 1929289995 1638771320 1812701525 2184413301 2505993316 1977386505 2131204227 2275973118 3256593139 2462379541 2659816930 1924969654 1914697293 2474740305 2164481975 1846367585 1867995500 2371113203 1955623647 2561483206 1991948513 3030567159 2048473424 2255851862 1892020392 1695613781 2178948150 2854667788 2460116078 1736325464 2288035095 2295887853 2603394263 2735080848 3219934255 2869575917 2832636074 2395842147 1824787577 ornithine 1524712187 786019306 476419757 606283285 743831589 628924274 648835349 923467098 602603292 542038045 615576455 633785956 733138220 700914655 625509581 651238002 526672409 1221056972 1032732620 1057910332 595199266 890663354 633446144 618224889 946654108 687849449 632841647 601617501 1203983695 789974902 1046672533 675993157 677843868 712007468 418179770 781986974 571581275 996182256 536168807 647658039 555407346 781010438 900322592 657134647 608845148 775270701 660246493 663448451 glutathione, oxidized (GSSG) 3815088 3914984 1581998 878432 3608553 4855284 6654338 2643020 2059312 2353669 2279488 2271949 2629155 1394911 2683527 1645088 3368864 8024865 3077528 2954087 7205047 3740839 5947170 4295889 1279215 2026874 2106571 1356009 6491017 5688963 5688257 1925479 2417310 1427300 6072695 2941770 4075825 2514024 2384928 2990958 3790698 7701434 4219409 10131487 10620809 2637638 2776741 3310741 pyridoxal 8198457 6808471 16717027 8639602 8857166 12727285 10972712 10473415 8387321 17180251 8067651 11359524 10241708 8071985 7907207 11912929 13421172 12566079 10461585 9684483 17883965 8661386 16901372 13470083 13989027 10297591 10283664 6083568 20801018 11973564 16405086 9421766 8750582 14610867 13847964 23106196 6974227 4739235 7470612 7457306 6783910 17076961 10852243 17826136 17423619 6718029 7472840 10970087 taurine 808446217 809910100 439610867 455804870 882225413 783919351 1018991518 1137511989 615771807 521888725 622534559 681512781 571218736 523608449 442995653 468807883 580592522 2389952717 1617200990 1750760465 1477401913 822212720 1904560244 685230036 519507047 429229097 591116694 609425451 682134610 863342438 930685341 1151077130 629611064 542516704 978263708 637637562 489412274 628493723 569283436 436024419 567224821 1788774291 1908233991 2032674358 1937255421 568126297 726387751 763133935 urea 1279419279 869523849 1053556673 850684049 1078097271 971616032 795715068 1158599577 955608057 829173910 898895886 1090877885 1040182945 1024414374 854340901 1007793575 960875255 920276635 974878037 874329306 963734593 1101203012 1067184356 957232841 967229508 758369965 834393717 706244810 1026323429 1028776209 1225440041 994868755 1084396521 1382232510 1068533805 1405389099 793960049 797514547 809997201 668797809 740717271 961248915 897308624 952350492 1019191925 683768599 849165861 985693202 tryptophan 1476734820 1462928015 1844963304 898538186 1505760593 1410454352 1446930207 1675665050 1290258285 1265427707 991147801 1514457220 1595858131 1854851907 1686811229 1907519796 2306533223 1967649639 1852920317 1818283000 2153028667 1473834445 2403355804 1799199918 1650355385 1886854994 1741070399 1427878600 1721598277 1687694994 1888375408 1707289430 1096866569 1348458843 1328210944 1663516261 1862856549 1416400847 1822718706 1428535064 1567204324 2145039124 1891769134 2199799424 2449647381 1382451623 1486415807 1768587725 valine 1431277270 1342667417 1577157094 1023936513 1433040299 1060026672 1556836081 1657431053 1285938094 1113849829 589053383 1051007301 1137184616 1697801789 1458858640 1493788751 1550519836 2275118119 1721220596 1826497423 1538230500 837974023 1809423413 1324276602 1341341693 1263017261 1736085602 1146765200 1598146471 1133689114 1895138058 1253116831 1385924033 1301284119 1263779796 1466383817 1697732828 1382943155 1198722839 1450853687 1599917714 1744000452 1690150199 2127099815 1834643436 1739818190 1544339520 1431993616 adenosine 2497537 909222 1013922 756016 610849 1665332 898764 632888 254654 154996 373577 1250432 1676615 1157849 5572771 918742 1620683 1286079 1272445 1035242 985263 487510 1229595 2001765 632742 715366 702838 482525 2853253 1068936 476043 399498 989428 998059 1138563 891395 2098857 1054325 728665 990921 780870 1084970 1064430 cysteine 3351838 1363057 2390020 1758249 5961071 4136627 133080 4791250 2388734 3002650 1910610 2307920 2959085 2388537 2532273 2037011 3188636 13944397 5478151 5161963 7189481 3921330 8781638 5344361 3388725 1887183 2270309 2349013 12751265 6520454 9973414 2222409 2058110 2784498 163304 7302884 1249462 1435347 2277616 206366 1657606 9862472 9033190 10153597 9520913 1584498 1816335 2676977 trans-4-hydroxyproline 138338259 159530955 111149857 112384599 110090969 172865225 189359975 224539344 169640087 187677103 149359198 121689858 137765228 150182520 158179436 125579476 102998160 341794115 216022882 184721412 136812701 133080189 141451418 125069913 65113592 178037576 170035561 131308814 164363532 140674535 189161410 166752938 154331587 146589319 193212282 146957230 95348434 100630789 178395184 111253305 156358050 178362819 213364292 155824639 193076092 146657318 127222119 143256721 xanthurenate 1824576 1168069 1147314 1015126 941787 636108 494248 752465 569893 1142217 790264 1647731 500689 1108481 1997257 2688028 3397289 3516622 2251666 1959990 2498660 2350335 2237699 2306090 1671182 1436718 816673 1025120 2298559 1539186 2420224 856907 1034439 2185805 580335 6419648 883336 827048 2000640 838296 1944711 2825561 2623715 2337872 2825105 687652 566032 2144893 kynurenine 24652210 14602591 15257008 9279765 20168189 16653542 16380752 21258392 11640511 15599707 8412427 20262804 21314694 28025214 23495179 21686552 33951148 39766402 21198688 32180342 22772090 17643855 22175802 15879117 23783504 18072517 15948146 15132453 29898110 22559749 16462258 14030159 9476698 13811030 17521836 30820674 19788517 19903896 22963159 14720775 26940007 28893645 42180967 24806322 21315863 11117405 14771364 24859703 trigonelline (N'-methylnicotinate) 120969670 79683433 82335191 78582779 97477042 95397542 98402222 129201866 86514283 109848706 82958185 88456662 97472463 50532577 47317341 66167014 44811139 126515527 108116092 109360400 78329312 57284242 98194112 57515959 69420158 68029378 69439922 72994844 132740276 121615387 110502104 67100714 85733052 136437742 112328596 137579030 46891918 27772068 54319635 41362202 59603436 149671607 108079958 77584038 110323219 34943676 46653691 56870871 cysteine-glutathione disulfide 57235601 92694991 53516806 50752427 174060562 105431016 125016684 140424603 54822188 80101495 63506583 69506685 90025922 73343810 80656284 71439091 104980114 184665846 87430540 122028501 153991318 102672306 125417992 109965693 8036759 64507306 51571643 65905789 144598903 153045554 208937954 105952680 90261089 58271650 171775177 93298893 104452078 64756338 65705574 93640188 107832505 141638481 163847418 170627398 191347650 61910218 101237297 69729780 N6-carboxymethyllysine 19080817 12326273 753421 8776993 29090413 20167353 23804378 23644276 13214406 11952870 12132433 18536315 11242591 8044849 6210512 9715716 9672554 67668855 29454165 38952508 35728198 19375940 32005506 16861566 10809520 7338897 1536609 11467197 27410407 34749376 23528775 15125627 11543536 16578931 32929023 17797514 9379470 10870038 7928611 9153301 11870366 49342994 48753156 40936081 46574907 8938411 15381972 12293003 dimethylarginine (SDMA + ADMA) 120440138 106299957 86257546 80334699 151330052 154094008 147691444 158182493 102349822 117487302 90869360 99593468 99803181 105312326 117927128 97811243 103665687 180564275 145321218 140822102 123791371 112637290 123054192 111074740 92824827 119743835 112509869 123179502 194416637 152503987 207778266 106953845 111976270 127534187 127524049 129692482 88196461 99885374 120220341 92552727 127400267 142371632 177742479 134791388 128961997 107942835 103679303 106103358 cysteinylglycine disulfide* 616987 925216 904795 3639294 2570012 1514346 2255236 506922 472740 267318 607058 870526 501817 1067252 806352 986444 1673556 992658 967634 1607807 800287 1309375 657839 1197764 502484 983781 2998529 2739125 3389701 1627566 691298 1288291 713407 1163127 652154 327397 860523 644122 870150 981316 1403315 1247832 1340233 571037 530801 395236 fructosyllysine 85672849 42555688 51548510 44763575 99314511 68112260 68323045 87468031 41406983 64307806 27112894 36848190 67345696 39377575 46866604 52066320 74270202 138173477 90181979 99734868 104287366 40785734 97997182 45402987 64580327 68616075 40521941 46663385 173118285 109149560 71699859 60248377 78554433 110650956 25671920 73811699 43417946 24565465 36174096 20437260 148684964 91981699 106912873 99036440 145375391 34504825 21806556 28987738 metabolite_name KEGG CHEMSPIDER CAS HMDB PUBCHEM INCHIKEY SMILES SUPER_PATHWAY SUB_PATHWAY PLOT_NAME spermidine C00315 1071 124-20-9 HMDB0001257 1102 ATHGHQPFGPMSJY-UHFFFAOYSA-N NCCCCNCCCN Protein Catabolism & Decay Nitrogen metabolism & Polyamine spermidine hypoxanthine C00262 768 68-94-0 HMDB0000157 790,135398638 FDGQSTZJBFJUBT-UHFFFAOYSA-N O=C1C(N=CN2)=C2N=CN1 Oxidative Stress Nucleotide-related mediator hypoxanthine N6,N6,N6-trimethyllysine C03793 140379 23284-33-5 HMDB0001325 440120 MXNRLFUSFKVQSK-UHFFFAOYSA-N C[N+](C)(CCCCC(C([O-])=O)N)C Protein Catabolism & Decay Protein turnover N6,N6,N6-trimethyllysine 5-methylthioadenosine (MTA) C00170 388321 2457-80-9 HMDB0001173 439176 WUUGFSXJNOTRMR-IOSLPCCCSA-N NC1=NC=NC2=C1N=CN2[C@H]3[C@H](O)[C@H](O)[C@@H](CSC)O3 Protein Catabolism & Decay Nitrogen metabolism & Polyamine 5-methylthioadenosine (MTA) carnosine C00386 388363 305-84-0 HMDB0000033 439224 CQOVPNPJLQNMDC-ZETCQYMHSA-N OC([C@H](CC1=CNC=N1)NC(CCN)=O)=O Oxidative Stress Amino Acid-related Mediator carnosine histamine C00388 753 51-45-6 HMDB0000870 774 NTYJJOPFIAHURM-UHFFFAOYSA-N NCCC1=CNC=N1 Stress Signaling Molecule Histamine histamine isoleucine C00407,C06418,C16424 769 73-32-5 HMDB0000172 6306 AGPKZVBTJJNPAG-UHFFFAOYSA-N NC(C(O)=O)C(C)CC Protein Catabolism & Decay BCAA catabolism isoleucine leucine C00123 61-90-5 HMDB0000687 6106 ROHFNLRQFUQHCH-YFKPBYRVSA-N O=C([C@H](CC(C)C)N)O Protein Catabolism & Decay BCAA catabolism leucine ornithine C00077 6026 3184-13-2 HMDB0000214 6262 AHLPHDHHMVZTML-BYPYZUCNSA-N O=C(O)[C@@H](N)CCCN Protein Catabolism & Decay Nitrogen metabolism & Polyamine ornithine glutathione, oxidized (GSSG) C00127,D00031 58835 103239-24-3 HMDB0003337 65359 YPZRWBKMTBYPTK-BJDJZHNGSA-N O=C([C@@H](NC(CC[C@@H](C(O)=O)N)=O)CSSC[C@@H](C(NCC(O)=O)=O)NC(CC[C@@H](C(O)=O)N)=O)NCC(O)=O Oxidative Stress Cysteine/Glutathione-related glutathione, oxidized (GSSG) pyridoxal C00250 1021 65-22-5 HMDB0001545 1050 RADKZDMFGJYCBB-UHFFFAOYSA-N OC1=C(C)N=CC(CO)=C1C=O Vitamins B Vitamins pyridoxal taurine C00245 1091 107-35-7 HMDB0000251 1123 XOAAWQZATWQOTB-UHFFFAOYSA-N NCCS(=O)(O)=O Oxidative Stress Cysteine/Glutathione-related taurine urea C00086 1143 57-13-6 HMDB0000294 1176 XSQUKJJJFZCRTK-UHFFFAOYSA-N O=C(N)N Protein Catabolism & Decay Nitrogen metabolism & Polyamine urea tryptophan C00078 6066 73-22-3 HMDB0000929 6305 QIVBCDIJIAJPQS-VIFPVBQESA-N O=C(O)[C@@H](N)CC1=CNC2=C1C=CC=C2 Inflammation & Immunity Amino Acid-related Mediator tryptophan valine C00183 6050 72-18-4 HMDB0000883 6287 KZSNJWFQEVHDMF-BYPYZUCNSA-N N[C@H](C(O)=O)C(C)C Protein Catabolism & Decay BCAA catabolism valine adenosine C00212 54923 58-61-7 HMDB0000050 60961 OIRDTQYFTABQOQ-KQYNXXCUSA-N NC1=NC=NC2=C1N=CN2[C@@]3([H])[C@@](O)([H])[C@@](O)([H])[C@](CO)([H])O3 Stress Signaling Molecule Adenosine adenosine cysteine C00097 5653 52-90-4,56-89-3 HMDB0000574 5862 XUJNEKJLAYXESH-REOHCLBHSA-N SC[C@H](N)C(O)=O Oxidative Stress Cysteine/Glutathione-related cysteine trans-4-hydroxyproline C01157 5605 51-35-4 HMDB0000725 5810 PMMYEEVYMWASQN-DMTCNVIQSA-N O[C@@H]1C[C@@H](C(O)=O)NC1 Protein Catabolism & Decay Protein turnover hydroxyproline xanthurenate C02470 5497 59-007 HMDB0000881 5699 FBZONXHGGPHHIY-UHFFFAOYSA-N OC1=C2C(C(O)=CC(C(O)=O)=N2)=CC=C1 Inflammation & Immunity Amino Acid-related Mediator xanthurenate kynurenine C00328 141580 2922-83-0 HMDB0000684 161166 YGPSJZOEDVAXAB-QMMMGPOBSA-N N[C@H](C(O)=O)CC(C1=CC=CC=C1N)=O Inflammation & Immunity Amino Acid-related Mediator kynurenine trigonelline (N'-methylnicotinate) C01004 5369 535-83-1 HMDB0000875 5570 WWNNZCOKKKDOPX-UHFFFAOYSA-N C[N+]1=CC(C([O-])=O)=CC=C1 Vitamins B Vitamins trigonelline (N'-methylnicotinate) cysteine-glutathione disulfide R00900 3455404 13081-14-6 HMDB0000656 3080690 BNRXZEPOHPEEAS-UHFFFAOYSA-N NC(C(O)=O)CCC(NC(CSSCC(N)C(O)=O)C(NCC(O)=O)=O)=O Oxidative Stress Cysteine/Glutathione-related cysteine-glutathione disulfide N6-carboxymethyllysine 11217184 5746-04-3 HMDB0240347 123800 NUXSIDPKKIEIMI-UHFFFAOYSA-N OC(CNCCCCC(C(O)=O)N)=O Metabolism & Glycemic Stress Glucose Regulation N6-carboxymethyllysine dimethylarginine (SDMA + ADMA) C03626,C21189 110375 102783-24-4 HMDB0003334,HMDB0001539 169148,123831 YDGMGEXADBMOMJ-LURJTMIESA-N N[C@@H](CCCNC(N(C)C)=N)C(O)=O Protein Catabolism & Decay Protein turnover dimethylarginine (ADMA + SDMA) cysteinylglycine disulfide* 17215992 70555-24-7 HMDB0000709 22833544 ZHRLECIZINSPKL-AKGZTFGVSA-N OC(CNC(C(N)CSSC[C@@H](C(O)=O)N)=O)=O Oxidative Stress Cysteine/Glutathione-related cysteinylglycine disulfide* fructosyllysine 110281 21291-40-7 HMDB0034879 9839580 BFSYFTQDGRDJNV-QCNRFFRDSA-N OC[C@@H](O)[C@@H](O)[C@H](O)C(CNCCCC[C@@H](N)C(O)=O)=O Metabolism & Glycemic Stress Glucose Regulation fructosyllysine