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 12,13-DiHOME 5534357 2553415 1545111 587473 415089 1307553 413702 1998874 692763 947762 1526736 1051583 2033714 2790339 618330 5749397 599860 800911 1058026 1754267 1793037 569655 707139 2220298 2268819 4340004 1066769 9,10-DiHOME 1500295 845814 492766 250433 1329342 835667 1190790 324337 1029988 737420 468702 1356690 477936 281103 1100276 1453427 546525 598723 1444160 769954 346049 1399758 39462 1027292 165116 240613 931525 370147 605821 1304476 621442 541251 469599 252969 400551 736853 382519 794826 1288027 961493 462916 linoleate (18:2n6) 5832318812 4485362088 4493617883 3579280217 777684084 892379233 1341154916 1278599625 2952691104 717840628 3230790215 975539295 1353451348 2439178581 4934667044 2865873584 1619449572 1997085174 3911317559 2814618402 1954630661 3148455289 2873276747 1181944850 6428339514 2878700834 2930728088 3790476490 1255236490 795673224 2273427925 4140689315 3713062667 1288324465 1265346844 612782423 2556900067 3201704872 4707149171 3142706344 4446198234 2800952146 2812222884 2986812393 3138378145 4475237649 3222086801 2283479559 adenosine 3',5'-cyclic monophosphate (cAMP) 235871 285396 232083 317097 76853 99450 238123 321407 270841 367817 332422 269193 432029 321850 218804 197642 300563 113728 87474 109339 166204 301792 42469 265076 197559 332379 386634 225939 89207 78793 160879 65519 372807 298780 330264 293713 226141 191407 218087 179955 230735 162311 142120 275103 203933 217943 275683 449300 arachidonate (20:4n6) 434855237 111088611 375064666 228622692 66720318 73568303 56316072 104746123 98716582 62006581 101334012 46362504 49419633 119368613 241180270 98551108 354518600 59973726 148612044 122610486 402897414 106398491 476228715 87674811 437887065 114293042 137003471 127163298 242734228 66651616 138273932 340679051 90825315 47696158 33042375 105141797 194106561 98863640 206127622 57474032 75044350 182918597 107594519 475305503 241377608 143373806 81397827 96405342 corticosterone 7449612 7657537 9098072 7020495 7972441 7664650 6110247 9295190 8507609 7584576 7609451 8442017 6412060 7913472 10862846 9743514 9757851 8787156 10135030 9490411 11961086 8908969 8880560 8363969 9413171 9729105 10003951 8192895 4447719 7463560 6815861 8918791 9673075 8724043 7997837 7510901 9252137 8231241 10210097 6847632 9726019 11082945 10455158 14453383 11038968 9020494 8692559 9734760 histidine 11567158 11293770 8327514 10453699 12552815 9781033 14378677 16597623 10163913 10050133 11286338 9411108 1453097 11017319 8124659 10140821 8223021 22813726 11969705 18337827 2503616 9957811 11817901 10950084 11831562 9664937 12742154 10203833 14320402 12851913 6622369 13667056 12148256 14071091 14565264 2285680 10371505 13385426 9408343 11221291 12407692 16976779 3981495 17817366 13928307 13526466 10228750 7027844 inosine 1223847 1889314 281449 773535 1161194 760131 984721 1154481 444114 534656 1635212 853076 715436 396819 239362 411029 1367237 1166966 1215500 1553333 3969525 3714965 4133574 1101069 1190496 408484 582063 461172 1274933 735398 820633 3072374 830474 645027 2384926 270485 521424 3122481 836410 694117 444430 3257749 1925937 13977881 4548818 764458 1331602 1240534 riboflavin (vitamin B2) 194713 289700 139171 186000 349215 300725 261725 200631 238499 270393 237628 230856 239631 184955 135453 226438 129195 354269 290676 317929 259127 296448 233915 238715 298291 203134 207829 193170 368669 354914 273470 127359 194742 252058 339867 276187 199944 222217 233565 182094 202933 346374 243360 293344 297068 187467 217969 261827 pyruvate 14971006 10154159 12849643 11784515 11911104 15650576 12482395 9917564 14440547 13651241 10754517 12647294 13957694 11616399 15335889 12507513 22650773 17457662 14420594 11306256 17521926 15211166 18734724 18090050 12766290 14252404 12699972 16926808 19947928 11582693 14268080 11370452 18180513 11617533 12589568 16702279 17253127 8297552 19143560 8900218 12038518 23502942 15710312 23379119 18633927 9445520 12702354 9702928 oleoyl ethanolamide 3623909 3086366 3210223 2104581 2815034 2561789 3100885 3013308 2919584 1560444 2616656 1984993 1111311 2775952 3481411 3085061 3332949 2936654 5181903 6803892 5380199 3022887 10614388 3100374 3380120 2587777 3048267 2392410 2372538 2508960 3014640 11446188 3914335 2084966 2852722 1252679 2790447 3247993 3196915 3100080 1588594 6168891 4888054 11643748 5758946 4458806 4683079 2976617 eicosapentaenoate (EPA; 20:5n3) 44223239 7769809 33081653 19753925 4326303 4729129 3181652 6883365 7337365 2539359 7892188 2878860 2679134 9618421 24180290 5863054 21436371 3083749 10102333 6717747 24223167 7541900 36649864 5921372 27585056 9149405 11262674 12492067 15416646 4284654 11980378 29421436 5707536 2780914 1486786 6981087 13780646 8023326 24257608 2680845 5944895 11985659 7363890 25735243 17542666 9344571 4933457 5773673 3-methyl-2-oxovalerate 2435153 2600537 4146310 1469737 3775510 3400701 3478166 3074521 3079431 6194854 2159290 5845854 2513158 5275346 4379885 7571866 11167038 20561144 8335199 8914714 11321430 4623829 17728708 12975129 2503350 3641851 4394663 2754499 8363510 4125167 6420064 3738578 2544097 2552578 5806149 6664610 4977850 5152443 5033835 3020862 5067107 10417728 9838737 17386038 17233390 3806323 4331133 4184624 3-methylhistidine 279498 399315 315858 369740 836266 693002 645291 929902 432368 387685 423702 419480 228168 447755 417920 289846 205983 2106862 756480 1523213 353322 823563 1256792 560477 163779 352983 461518 387692 497050 441849 584581 3295275 619767 488707 634813 227078 340048 611150 348195 261294 357875 1708773 637768 1088206 827452 618307 570818 365759 anserine 6122303 5446457 1955307 2295430 21214954 10282451 23967195 22029961 5347904 4291897 6774364 7455874 1785914 3282171 2380870 1441713 860989 122688110 41450033 59119030 17822357 7434160 44543557 12844048 4258800 2023086 3633156 2580324 9982335 13471277 8274372 11936239 5915779 4286682 25350390 4402614 2370647 4247565 3078407 1183258 4380910 103252578 31291614 109927377 84711059 4403353 9800655 5555237 4-methyl-2-oxopentanoate 3102915 2836546 4257624 1415512 3124567 2703559 2969676 2377859 2792832 7370483 2289513 5429175 2791200 4611248 3737854 6449253 10013349 16724131 6006456 7030253 10392151 3396902 16618738 10495218 3890464 3749517 4063646 2293727 9152073 3769156 5933651 3356034 1927314 2591028 5672166 7515238 4289711 4516391 3832170 2628402 4060734 9098422 7894736 12864040 15691000 3258920 3027786 2962219 docosahexaenoate (DHA; 22:6n3) 269667432 38588246 283882338 193902716 21194333 17956415 17583871 37107743 35784155 16063802 35336711 15288034 11540474 55288524 238608958 26444132 164972902 30108788 76196807 47707660 221697004 50394660 328845747 45439125 300029908 45980254 56334169 71876978 122119027 11066753 139743434 234613862 47533970 13032101 14518407 43663082 152607798 36582528 254978470 23045759 36005816 134083922 78306338 347760242 148480079 71543348 32204812 33176242 alpha-hydroxyisocaproate 501416 365411 374117 333315 653041 593263 606723 596275 581817 692812 466967 739525 789565 505989 398066 434221 569228 1341981 590408 662140 604680 636252 569529 812616 424876 508895 466175 450112 1316228 638911 956893 459715 503918 826564 730140 1189510 355040 394605 342344 281419 493515 861757 812771 845719 935260 483052 507500 691437 pyridoxate 5148057 4694906 8657555 3726942 22718446 17566201 10617231 3518146 3092866 5916900 3125151 5528434 3012696 4067807 7416533 5134125 8689872 12461757 8155447 8850925 9325208 5611306 8800080 6574341 5534010 3911163 3862945 4224783 33202247 19918036 19434576 5230841 2645995 3045685 4726958 8574591 3811492 4724219 5888018 3437590 7076008 25577171 9328970 16616919 11329862 2949955 2612932 3609191 docosapentaenoate (n3 DPA; 22:5n3) 42410648 9671148 37651895 23027402 3162500 3639324 3205490 6851672 9442155 2325524 7704279 2603858 2226105 11258159 34705335 5639477 25232874 5572927 12882027 10242139 30619193 9163762 48075413 8487219 30477371 7788870 9979154 12996386 11901510 2528363 21089315 33789384 9784313 2743370 3116438 4579431 19806045 9134297 36351386 6267861 8784430 21449219 14654528 50239264 24645404 13058993 8355170 8086311 alpha-hydroxyisovalerate 5261762 4756549 3726654 3391424 6905004 7621674 6988853 7141799 7857978 7206116 6210319 6338669 7216774 6368173 5019080 3831726 5128179 11569008 7766445 7792447 7616720 9270898 8629558 7238491 3776314 5271623 5117748 4816205 7278738 5864058 11950006 7530682 6665981 7528637 8653996 8124092 4977015 4671743 4369947 3264619 5925865 7034392 8844741 7820428 9008754 5928179 7008913 8180761 2-hydroxy-3-methylvalerate 727518 568069 576319 522593 1248606 1513322 1087536 1276358 1304700 760878 745109 1307576 953006 864085 791035 582177 740345 1921176 863972 1170472 1186886 1369278 1359523 1312862 454213 695537 808219 593571 1385214 1009956 2342311 1288133 1193092 1709308 1229883 2024339 699914 721559 553530 477146 655560 1021121 1176251 1339226 1366244 806306 1208102 1234001 docosapentaenoate (n6 DPA; 22:5n6) 26406715 4721906 35067900 19047798 2991709 3330956 2886809 6346480 4691067 1958632 4941765 2106069 1346262 6110182 16170399 5343451 22610485 5203453 9457801 7776193 37275528 5900781 48473830 5636700 65633291 3972050 8500393 7300760 18750585 2715135 12399551 31143850 5795880 1719820 1867199 5974636 19093526 4272139 14557267 3688515 4066357 16838812 6968328 56065101 23022977 9391267 4770547 4247138 13-HODE + 9-HODE 71101383 200198142 53477153 45262628 35274375 41898654 98705197 48288414 122592365 24705187 135076442 47676189 77198949 83723116 157242509 157923938 31566556 136487380 83324642 92650453 18190778 120665226 22864512 39863913 52760618 113338597 105391539 120647055 25118627 33660153 59239923 89012578 182019452 64344157 91268451 32156128 96658865 137596101 173268127 171701956 233056766 123383959 92954776 27786474 111745290 189827024 148530502 99941378 N-oleoyltaurine 810228 2020648 1007801 433568 660863 692942 1995898 850574 781959 448078 710519 583118 519628 906100 1109951 849254 875028 2375331 1231778 1834577 1157733 1054376 1214643 995567 918631 865162 855108 710492 581660 750526 591843 1506679 1283525 561794 1776181 426193 766698 1082450 889159 1309263 807813 1323227 1152458 2298651 1492647 1201329 1668515 1129816 linoleoyl ethanolamide 1369859 654690 1347132 645877 558254 420808 448880 759684 812803 392826 699805 349252 443950 525313 937781 820518 1012271 1412857 1500673 2344011 1871645 797968 4206267 689929 1494713 656304 729711 586889 634782 556654 860880 3375239 1019185 521490 527316 453200 782628 648108 868253 414238 538806 2202210 1754402 2872461 1610314 1176500 1253287 776053 14-HDoHE/17-HDoHE 16532766 8659346 17042067 38755913 12506320 12475432 4049996 12613658 13226199 3699590 13495742 9000400 11928397 12626218 67516178 16177288 11240742 14291963 28141802 16101093 4224207 21218971 9769056 14965719 7678894 18937179 22881015 31161564 27358647 4624899 66214106 24981512 29044985 8116482 4114835 7022128 32417707 16701620 83479356 6412137 21970540 40676123 34514736 17574390 19417934 19626727 13357493 8530854 metabolite_name KEGG CHEMSPIDER CAS HMDB PUBCHEM INCHIKEY SMILES SUPER_PATHWAY SUB_PATHWAY 12,13-DiHOME C14829 8412123 263399-35-5 HMDB0004705 10236635 CQSLTKIXAJTQGA-FLIBITNWSA-N CCCCCC(C(C/C=CCCCCCCCC(O)=O)O)O Inflammation & Immunity Lipid Mediator - Oxylipins 9,10-DiHOME C14828 8142232 263399-34-4 HMDB0004704 9966640 XEBKSQSGNGRGDW-YFHOEESVSA-N CCCCC/C=CCC(C(CCCCCCCC(O)=O)O)O Inflammation & Immunity Lipid Mediator - Oxylipins linoleate (18:2n6) C01595 4444105 60-33-3 HMDB0000673,HMDB0006270 5280450 OYHQOLUKZRVURQ-HZJYTTRNSA-N OC(CCCCCCC/C=CC/C=CCCCCC)=O Inflammation & Immunity Lipid Mediator - PUFA adenosine 3',5'-cyclic monophosphate (cAMP) C00575 268 60-92-4 HMDB0000058 6076 IVOMOUWHDPKRLL-UHFFFAOYSA-N NC1=NC=NC2=C1N=CN2C3OC(CO4)C(OP4(O)=O)C3O Stress Signaling Molecule Adenosine arachidonate (20:4n6) C00219 392692 506-32-1 HMDB0001043 444899 YZXBAPSDXZZRGB-DOFZRALJSA-N CCCCC/C=CC/C=CC/C=CC/C=CCCCC(O)=O Inflammation & Immunity Lipid Mediator - PUFA corticosterone C02140 5550 50-22-6 HMDB0001547 5753 OMFXVFTZEKFJBZ-UHFFFAOYSA-N CC(C(CC1)=CC2=O)(CC2)C3C1C(CCC4C(CO)=O)C4(C)CC3O Stress Signaling Molecule Corticosteroids histidine C00135 752 5934-29-2 HMDB0000177 6274 HNDVDQJCIGZPNO-UHFFFAOYSA-N NC(C(O)=O)CC1=CN=CN1 Stress Signaling Molecule Histamine inosine C00294 21241953 58-63-9 HMDB0000195 6021 UGQMRVRMYYASKQ-KQYNXXCUSA-N O[C@H]1[C@H](N2C(N=CN=C3O)=C3N=C2)O[C@H](CO)[C@H]1O Oxidative Stress Nucleotide-related mediator riboflavin (vitamin B2) C00255 431981 83-88-5 HMDB0000244 493570 AUNGANRZJHBGPY-UHFFFAOYSA-N OC(C(O)C(O)CO)CN1C(C=C2C)=C(C=C2C)N=C(C(N3)=O)C1=NC3=O Vitamins B Vitamins pyruvate C00022 96901 127-17-3 HMDB0000243 1060 LCTONWCANYUPML-UHFFFAOYSA-N CC(C(O)=O)=O Metabolism & Glycemic Stress Glucose Regulation oleoyl ethanolamide 4446574 11-58-0,111-58-0 HMDB0002088 5283454 BOWVQLFMWHZBEF-KTKRTIGZSA-N O=C(NCCO)CCCCCCC/C=CCCCCCCCC Inflammation & Immunity Lipid Mediator - Endocannabinoid eicosapentaenoate (EPA; 20:5n3) C06428 393682 10-2005-9,10417-94-4 HMDB0001999 446284 JAZBEHYOTPTENJ-JLNKQSITSA-N O=C(O)CCCC=C/C/C=CC/C=CC/C=CC/C=CCC Inflammation & Immunity Lipid Mediator - PUFA 3-methyl-2-oxovalerate C03465,C00671,C06008 46 1460-34-0,51829-07-3 HMDB0000491 439286,440877 JVQYSWDUAOAHFM-UHFFFAOYSA-N CCC(C)C(C(O)=O)=O Protein Catabolism & Decay BCAA catabolism 3-methylhistidine C01152 58494 368-16-1 HMDB0000479 64969 JDHILDINMRGULE-LURJTMIESA-N N[C@H](C(O)=O)CC1=CN=CN1C Protein Catabolism & Decay Protein turnover anserine C01262 100482 10030-52-1 HMDB0000194 112072 MYYIAHXIVFADCU-QMMMGPOBSA-N CN1C=NC=C1C[C@@H]([C@@](O)=O)NC(CCN)=O Oxidative Stress Amino Acid-related Mediator 4-methyl-2-oxopentanoate C00233 69 816-66-0 HMDB0000695 70 BKAJNAXTPSGJCU-UHFFFAOYSA-N CC(C)CC(C(O)=O)=O Protein Catabolism & Decay BCAA catabolism docosahexaenoate (DHA; 22:6n3) C06429 393183 6217-54-5 HMDB0002183 445580 MBMBGCFOFBJSGT-KUBAVDMBSA-N CCC=C/CC=C/CC=C/C/C=CC/C=CC/C=CCCC(O)=O Inflammation & Immunity Lipid Mediator - PUFA alpha-hydroxyisocaproate C03264 75520 10303-64-7 HMDB00746,HMDB0000665,HMDB0000624 439960,83697,92779 LVRFTAZAXQPQHI-UHFFFAOYSA-N OC(C(CC(C)C)O)=O Protein Catabolism & Decay BCAA catabolism pyridoxate C00847 6467 82-82-6 HMDB0000017 6723 HXACOUQIXZGNBF-UHFFFAOYSA-N OC1=C(C(O)=O)C(CO)=CN=C1C Vitamins B Vitamins docosapentaenoate (n3 DPA; 22:5n3) C16513 2234-74-4 HMDB0006528,HMDB0001976 6441454 YUFFSWGQGVEMMI-JLNKQSITSA-N O=C(O)CCCCC/C=CC/C=CC/C=CC/C=CC/C=CCC Inflammation & Immunity Lipid Mediator - PUFA alpha-hydroxyisovalerate 90190 600-37-3 HMDB0000407 99823 NGEWQZIDQIYUNV-UHFFFAOYSA-N OC(C(O)=O)C(C)C Protein Catabolism & Decay BCAA catabolism 2-hydroxy-3-methylvalerate 144317 488-15-3 HMDB0000317 164623 RILPIWOPNGRASR-UHFFFAOYSA-N O=C(C(C(CC)C)O)O Protein Catabolism & Decay BCAA catabolism docosapentaenoate (n6 DPA; 22:5n6) C16513 4945614 25182-74-5 HMDB0001976 6441454 AVKOENOBFIYBSA-WMPRHZDHSA-N OC(CC/C=CC/C=CC/C=CC/C=CC/C=CCCCCC)=O Inflammation & Immunity Lipid Mediator - PUFA 13-HODE + 9-HODE C14762,C14767 HMDB0004667,HMDB0004670 5312830,5282944,5282945,5282947,1424 HNICUWMFWZBIFP-IRQZEAMPSA-N OC(CCCCCCC/C=CC=C[C@H](CCCCC)O)=O Inflammation & Immunity Lipid Mediator - Oxylipins N-oleoyltaurine 4941625 52514-04-2 6437033 KOGRJTUIKPMZEJ-KTKRTIGZSA-N O=C(CCCCCCC/C=CCCCCCCCC)NCCS(O)(=O)=O Inflammation & Immunity Lipid Mediator - Endocannabinoid linoleoyl ethanolamide 4446566 68171-52-8 HMDB0012252 5283446 KQXDGUVSAAQARU-HZJYTTRNSA-N CCCCC/C=CC/C=CCCCCCCCC(NCCO)=O Inflammation & Immunity Lipid Mediator - Endocannabinoid 14-HDoHE/17-HDoHE HMDB0060044,HMDB0010213 6439179,11566378 ZNEBXONKCYFJAF-BGKMTWLOSA-N OC(CC/C=CC/C=CC/C=CC=CC(C/C=CC/C=CCC)O)=O Inflammation & Immunity Lipid Mediator - Oxylipins