MetabolomicsWorkbenchapplication/xmlhttp://www.metabolomicsworkbench.org/rest/study/study_id/ST002471/mwtabprimaryOK200Mass SpectrometryESIUlcerative Colitishttp://www.metabolomicsworkbench.org/data/DRCCMetadata.php?Mode=Study&StudyID=ST002471collectionWeek:4 | PUCAI_C3_WKall:mildcollectionWeek:12 | PUCAI_C3_WKall:moderate/severecollectionWeek:12 | PUCAI_C3_WKall:inactivecollectionWeek:52 | PUCAI_C3_WKall:inactivecollectionWeek:0 | PUCAI_C3_WKall:moderate/severecollectionWeek:4 | PUCAI_C3_WKall:inactivecollectionWeek:4 | PUCAI_C3_WKall:moderate/severecollectionWeek:12 | PUCAI_C3_WKall:mildcollectionWeek:52 | PUCAI_C3_WKall:moderate/severecollectionWeek:0 | PUCAI_C3_WKall:mildFecesHILIC POSITIVE ION MODE. Reversed phase POSITIVE ION MODE. HILIC NEGATIVE ION MODE. Reversed phase NEGATIVE ION MODE.MetabolomicsWorkbenchMetabolomicsHomo SapiensBroad Institute of MIT and HarvardCAR 5:0PC 31:0salicylateIle-ThrTG 47:2Nor-psi-tropineTG 47:0TG 47:1PE P-36:2 or PE O-36:3SolanidineSer-ThrPhe-Ilegamma-Aminobutyric acidEctoineVal-MetTrp-ValPC O-32:02-hydroxyglutarateN-6-TrimethyllysineglutamateTG 58:9TG 58:8TG 58:7TG 58:6TG 58:3TG 58:2TG 58:1CitrullineCapric acidLPC P-18:0 or LPC O-18:1Hyocholic acidN(6),N(6)-Dimethyl-lysinecoenzyme Q10alpha-ketoglutarate9-cis-Retinoic acidPhenylalanine-d8 [iSTD]PE P-36:1 or PE O-36:2ArginineAla-PheS-Methylcysteine S-oxide2-Hydroxy palmitic acidPE P-34:2 or PE O-34:3Proline betaine3-phosphoglyceratePro-GlyPantothenic acidCAR 5:1MesalamineSM 18:1;O2/14:0TG 49:2TG 49:3TG 49:0TG 49:1C24:0 PCSaccharinKestose/MaltotriosePhe-GlyPhe-GluCAR 18:2CAR 18:1CAR 18:0His - Deoxycholic acidIle-Gln3-methylglutaconateMethylguanidineAla-Alahexose monophosphateOrnithineChenodeoxycholic acidSerineAsn-Valtetrahydro-1-methyl-beta-carboline-3-carboxylateArg-Prolactose2-HydroxyibuprofenPhe-ThrIndolin-2-oneVenlafaxinesuberateN-LauroylglycineAdenosine4-nitrophenolPE P-34:1 or PE O-34:2quinateUric acidGuanidoacetic acidLinoleic acidCampesterol4-methylcatechol15S-15-methyl PGE2 [iSTD]Pro-Ala/Ala-ProCer 18:1;O2/17:0Cer 18:1;O2/17:15-MethylcytosineTrp-GlyTetradecanedioic acidDocosahexaenoic acidN-Acetyl-D-galactosamineTG 43:0Oleanolic acidLPE 20:1LPE 20:3Phe - Cholic acidhypoxanthineLPE 20:01-methylhistidinePhytanic acidTG 54:9ThreonineTG 54:8TG 54:7citrate/isocitrateTG 54:6TG 54:5Isodeoxycholic acidTG 54:4TG 54:3TG 54:2TG 54:1CAR 16:04-pyridoxateSer-IleAcesulfameDehydroepiandrosterone sulfateLysineAcetaminophenEicosenoic acidmalonate5beta-Cholestan-3-one (5b-coprostanone)Taurolithocholic acid12,13-diHOMESer-Pro/Pro-SerC17 SphinganineLPC 19:02-Hydroxyoctanoic acidC16 SphinganineXanthosineRetinol7-MethylguanineAla-Arg5-Hydroxymethyl-4-methyluracilVal-Glu/Leu-Asp/Ile-Asp/Asp-Leu/Asp-IleCAR 9:0N-Methyl-prolineCer 18:1;O2/19:02-aminoadipateTG 45:0TG 45:1Glycocholic acidPipecolic acidGlu - Cholic acidTG 60:12Lys-ProStearic acidfucoseIle-ValTG 56:8TG 56:7indole-3-propionateTG 56:6TG 56:5TG 56:4TG 56:3CinnamoylglycineTG 56:2TG 56:1CAR 14:2CAR 14:1CAR 14:0CarnitinemalateLys-TyrTaurochenodeoxycholic acid3-Guanidinopropanoic acidstigmastane-3,6-dioneGenisteinAla-Thr/Thr-AlasorbitoluridineLPC(P-18:0)/LPC(O-18:1)_BhemintartarateStercobilin1-MethyladenosineDG 38:2Trp-ThrDG 38:311-HETE2-hydroxy-3-methylpentanoate/hydroxyisocaproateDG 38:1Tridecylic acidDG 38:59,10-DiHOMEsaccharin1-MethylhistamineTaurineHydrocinnamic acidArachidic acidCoenzyme Q9TG 62:3Lithocholic acidVal-Arg/Val-Argalpha-N-PhenylacetylglutamineProtoporphyrin5-dodecenoateadipatecarboxyibuprofenAgmatineMyristoleic acidLPC 14:0TrigonellineMG 18:0MG 18:2His-PheCAR 12:0Phe - Deoxycholic acidThr - Chenodeoxycholic acidtaurodeoxycholate/taurochenodeoxycholateCAR 12:1MonoethylglycinexylididePhe-Met1-MethylguanosinedTMPphenylacetateLoperamide1-Methyl nicotinamidePC 38:2PC 38:3PC 38:6CE 14:0N-Acetylglutamine11-HDoHEAsn-AlaDehydrolithocholic acidundecanedionatequinolinateTriethanolamineSymmetric dimethyl-arginine14-pentadecenoic acidPhenylalanine4-Guanidinobutanoic acidCholesterolCholestenonePhe - Chenodeoxycholic acidTG 60:2DG 36:4DG 36:2DG 36:3Ser-ArgEicosadienoic acidxanthineDG 36:0Eicosapentaenoic acidDG 36:13-DehydroxycarnitineLPE P-18:0 or LPE O-18:1Valine-d8 [iSTD]TryptamineTrp-Trp2-hydroxy-3-methylbutyrate/hydroxyisovalerateAsn-PheCreatineadonitol/arabitolCaprylic acidCytosineMG 16:1N6-MethyladenosineLPC 16:0LPC 16:1N2,N2-DimethylguanosineCAR 10:2CAR 10:1saccharic AcidC20 SphinganineAla-Hisgentisate2-aminobutyrateAdrenic acidCE 16:0Cer 18:1;O2/14:0Cer 18:1;O2/14:1CE 16:1PC 36:1PC 36:2PC 36:37-Dehydro-desmosterolTG 51:0Gln - Cholic acid3-hydroxymethylglutarateIsoleucine3-Ketodeoxycholic acidApocholic acid/12-Ketodeoxycholic acidglycodeoxycholate/glycochenodeoxycholateTG 51:4TG 51:3TG 51:2TG 51:1Palmitoleic acidnicotinatePalmitoyl-EAD-N-AcetylgalactosamineDG 34:2DG 34:3Tyr-LeuDG 34:0DimethylglycineDG 34:1thymineGlutamine2-Hydroxystearic AcidPalmitic acid7-MethyladenineHistidineThr-ArgPC 38:4_aSM 18:1;O2/16:1StearamidePC 38:4_bSM 18:1;O2/16:0TyramineThr-TyrNervonic acidp-Hydroxyphenylacetic acidGly-ValDeoxyadenosineaconitateCitrulline - Deoxycholic acidLPE 17:05-hydroxytryptophanCE 18:0PC P-38:3 or PC O-38:4_aCE 18:2PC 34:2CE 18:1PC 34:3Asp - Deoxycholic acidPC 34:0CE 18:3PC 34:1NorharmaneTyr-ProPC P-38:3 or PC O-38:4_bSitosterolvalerate/isovalerateTarginineIndoleacetic acidO-ethyl-homoserineN-acetyl-5-Aminosalicylic acidArg-LeuSalicylic acidAlaninealpha-glycerophosphateN-AcetylhistidineLevulinic acidHydrocaffeic acidN-AcetylputrescineIle-MetLys-Ser2-isopropylmalateTryptophanXanthineEicosatrienoic acidTyr-TyrC22 SphingosineCholineAla - Deoxycholic acidD-alpha-tocopherylquinoneDG 32:0TrimethylbenzeneAsparagineDG 32:1glycerateDG 32:2Nicotinic acidArg-PheTG 60:3pentose monophosphateAsn-ArgPC P-36:1 or PC O-36:2SM 18:1;O2/18:3SM 18:1;O2/18:1DOPASM 18:1;O2/18:0Choline phosphate7-Methylxanthine15S-15-methyl PGD2 [iSTD]Ala-LysN1-Methyl-2-pyridone-5-carboxamideVal-GlyCAR DC5:0xanthurenateSolasodineTetradecylamineLPE 15:0DihydrocholesterolPC 32:0PC 32:1Thr-ProCAR 2:0Isolithocholic acid4,7,10,13,16-Docosapentaenoic acid7-methylxanthineLeucinedelta-Tocopherol5-Amino-levulinic acidVal-GlnLPC P-16:0 or LPC O-16:1Ser-Trp2-Hydroxymyristic acidTrp-TyrHis-ProadenineJuniperic acidDG 30:0Thr-PheIle-Lys1-methylxanthineUrolithin AN1,N12-DiacetylspermineN-Acetylvalineoxalate3-hydroxykynurenateVal-TrpLys-ValLeu-TyrcytidineBiotinalpha-Muricholic acidPC P-34:2 or PC O-34:3N-Acetylaspartic acidN1-AcetylspermidineSM 18:1;O2/24:0SM 18:1;O2/24:15-Hydroxyindoleacetic acidCAR 4:0PC 30:0TG 46:3CryptoxanthinTG 46:4TG 46:1TG 46:2alpha-Tocopherolcholesterol b-glucoside/galactosideTG 46:0GlycineUreidopropionic acidVal-AlaOleic acidlinoleoylethanolamideN-Acetylglutamic acidbeta-tocopherolTG 57:2taurocholateSer-SerGlyciteinN-AcetylcadaverineHis-ValurateguanosineBetulinic acidPC 36:4_aPC 36:4_b4-hydroxybenzeneacetonitrileLPE 14:0lactate4-Pyridoxic acidAcisogaerythronate/threonateNe-Ne dimethyllysineGuanosineRibothymidine3-Hydroxydecanoic acidinosine-15N4sphingosinePC P-33:0 or PC O-33:1cystathionine3-MethylxanthinePC P-32:0 or PC O-32:1Hexadecanedioic acidBiliverdinadipate/methylglutarateLys-Ileisovalerate/valerate/methylbutyrateAsp - Cholic acidN-Oleoyl glycine1-MethylguaninePC P-34:1 or PC O-34:2Eicosanedioic acidCAR 8:0Tyr - Cholic acidLPC 20:5LPC 20:3PC P-36:3 or PC O-36:4_aLPC 20:4butyrateTG 48:3TG 48:4TG 48:1C16 SphingosineTG 48:2ProlineTG 48:0Ala-MetLPC 20:1LPC 20:2PC P-36:3 or PC O-36:4_bPhe-SerphenyllactateDiethanolamineAspartic acidCeruleninPC P-36:2 or PC O-36:3ThiamineIle-SerGlycoursodeoxycholic acidMG 14:0_aMG 14:0_bPhe-LysHis-IlePro-hydroxyProhomovanillateAsn - Cholic acidThr-TrpinosineN6-AcetyllysineCAR 4:0;OHhippuratephenylacetylglutamineLPC 18:2LPC 18:3Taurocholic acidHeptylic acidVal-ProLPC 18:0LPC 18:113-HODECE 20:4CE 20:5Urocanic acidCE 20:3Thr-ThrTG 58:105,6 diHETESM 18:1;O2/20:0glycocholate-d4N(6)-MethyllysineGlutamic acidCer 18:1;O2/16:0Cer 18:1;O2/16:1Val-TyrCer 18:1;O2/16:2Thr-GlnHydroxyprolineGlu - Deoxycholic acidTG 42:0Piperine3S-Hydroxyhexanoic acidpantothenatesebacateCreatinine15R-15-methyl PGA2 [iSTD]Methyl dodecanoatePyridoxineTG 53:3TG 53:2salicylurateC20 Sphingosinechenodeoxycholate/deoxycholateGlycolithocholic acidValineVal-AsnMargaric acidVal-AspN-AcetylleucinePC 36:0_aPC 36:0_bThr-Glu4-HydroxystyreneTheobromineBilirubin1-methylurateLeu-LeuBetaineN-methylhistamine(E,E)-Trichostachine_b(E,E)-Trichostachine_aaspartateCE 22:6CE 22:44-Acetamidobutanoic acidCE 22:5PterinacesulfameAtenololCytidine2-FuroylglycineN-MethylserotoninguanineThr - Cholic acidOleoyl-EASM 18:1;O2/22:0SM 18:1;O2/22:115S-15-methyl PGE1 [iSTD]PC P-34:0 or PC O-34:1Cer 18:1;O2/18:0Cer 18:1;O2/18:1Cer 18:1;O2/18:2TG 44:1TG 44:2TG 44:0fumarate/maleatePC P-36:4 or PC O-36:515R-15-methyl PGF2a [iSTD]SphinganinemesaconatepropionateCadaverineGly-SerGlycochenodeoxycholic acidTG 55:3pseudouridineHyodeoxycholic acidCAR 13:0Menaquinone-4fructose/glucose/galactoseindoxylsulfateGln-IleD-UrobilinogenN-Acetylalanine3-3-hydroxyphenylpropionate5-Acetylamino-6-amino-3-methyluracil5-acetylamino-6-amino-3-methyluracilIle-AsnhydrocinnamateTG 50:1TG 50:0PE 30:0thymine-d4tridecylamineGly-ArgKynurenic acidbeta-Alanine10-Hydroxystearic AcidPhe-TrpthreosphingosineCer 18:1;O2/24:1DG 38:4_bDG 38:4_aorotateCAR DC3:0;2MeL-UrobilinMethionineglucuronateTG 50:6PorphobilinogenTG 50:5TG 50:4TG 50:3Cer 18:1;O2/24:0TG 50:2xylose3-methyladipate/pimelateVal-HisL-HistidinolLauric acid1-3-7-trimethyluratecaproateN-AcetylarginineCarnosine3-MethoxytyramineIle-Pro3-Methyladipic acidGlu-GlnLPC 15:0SerotoninindolelactateTrp - Cholic acidAminoisobutyric acidMet - Cholic acidN-AcetylisoputreanineLinoleoyl-EACer 18:1;O2/15:0HexoseAla-Ilealpha-keto-beta-methylvalerate/alpha-ketoisocaproateIsoallolithocholic acidPhytosphingosineMet-Lys/Lys-MetTyrosine9-HETE4-hydroxybenzaldehydesucrose/lactose/trehaloseLenticinPC O-18:0 (C16-PAF)TG 52:6TG 52:5PE 32:0TG 52:4TG 52:3alpha-hydroxybutyrate/beta-hydroxybutyrate/hydroxyisobutyrateTG 52:2TG 52:1Ser-ValTG 52:0Myristic acidHypoxanthinePhenyllactic acidDG 35:1DG 35:2Leu-Phealpha-Linolenic acidPutrescineCAR 20:0Thr-IleCAR 20:4succinatePhe-Tyr13-cis-Retinoic acidTriisopropanolamineThr - Deoxycholic acidacetylalanineLPC 17:0PC P-34:0 or PC O-34:1_bPC P-34:0 or PC O-34:1_aCer 18:1;O2/2:0HomocitrullineGlu-IleNicotinuric aciduracilInosineDidanosineMethylimidazoleacetic acidPC 35:2Cholic acidArachidonic acidCarnosolNonadecylic acidLys-GlyAla-GluAnserineLPC O-18:0Arg-MetLys-Gln3-MethylhistidineAla-GlnCaffeineglycocholate15-HETECer 18:1;O2/20:0Cer 18:1;O2/20:1Cer 18:1;O2/20:2PE 34:2Sebacic acidN-acetylglutamatealpha-CEHC5-Dodecenoic acidN-AcetylhistaminehydroxyphenylacetateMaslinic acid7-Ketodeoxycholic acid5-(2-Hydroxyethyl)-4-methylthiazole10Z-Heptadecenoic acidPentadecylic acidN-AcetylornithineIle-Trpsn-Glycero-3-phosphocholinecaprylatePyridoxamineMet-Valcis-Erucic acidDodecanedioic acidmyristoleateLys - Chenodeoxycholic acidCer 18:1;O2/4:0Ile-Ser/Ser-Leu/Leu-Ser/Thr-ValPro-ValS-AdenosylmethionineLPE 18:0DimethylarginineLPE 18:1LPE 18:2AcetylcholineLPE 18:3Val-Lys2-aminoheptanoateCAR 3:0Tyr - Chenodeoxycholic acid3-(N-Acetyl-L-cystein-S-yl) acetaminophenVal-Ser3-(3-hydroxyphenyl)propanoic acid (mHPPA)LPC O-16:0Tyr - Ursodeoxycholic acid / Tyr - Hyodeoxycholic acid12-HETEinositolCer 18:1;O2/22:0Nonadeca-10Z-enoic acidPE 36:1Met - Chenodeoxycholic acidPE 36:0Cer 18:1;O2/22:2Gly-ProHistamineN-AcetyltyrosinethreitolAsn - Deoxycholic acidanhydroDglucoseOxypurinolDG 31:0isoquinoline-1,5-diolPhe-PheLPC 24:0Tyr-ValTrp - Deoxycholic acidMethionine sulfoxide5-HETE17-MethylstearateTaurodeoxycholic acidalpha-ketoisovalerateAzelaic acidglycidyl linoleate2-Aminobenzoic acidPC P-36:0 or PC O-36:1Glu - Chenodeoxycholic acid(R)-SalsolinolImidazolepropionic acidAsp-ValImidazoleacetic acidCAR DC6:0Deoxycholic acid2-(3-hydroxyphenyl)acetic acid (mHPAA)DeoxycytidineGlycodeoxycholic acidlithocholateDaidzeinPC P-38:5 or PC O-38:6LPE 16:0CMPFLPE 16:13-hydroxynorvalineother disease, host organism, Inflammatory Response, human being, Microbial Competitive Behavior, Inflammations, Modern, disorders, secondary metabolites, medical condition, Microbial, Behavior, Feces, spoor, Competitive Behaviors, Human, Microbial Competitive Behaviors, droppings., primary metabolites, Interaction, diseases, Homo sapiens, Diseases, disease or disorder, condition, Competitive Behavior, diseases and disorders, ordure, Microbial Interaction, Microbial Cooperative Behaviors, Man, excrement, human disease, inflammatory response, Man (Taxonomy), Cooperative Behaviors, Microbial Cooperative Behavior, metabolite, inflammation, human, non-neoplastic, disease, Cooperative Behavior, Innate Inflammatory Response, Innate Inflammatory Responses, metabolites, Microbial Cooperative, Modern Man, disorder, Homo sapiens disease, associated, Behaviors, Innate, Microbial Competitive, Interactionsbackward, reversed., reversedfalseLinking bacterial metabolites to disease-associated microbes to uncover mechanisms of host-microbial interactions in intestinal inflammation. Human stool profilingST0024719606