MetaboLightsapplication/xmlftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS14505/m_MTBLS14505_LC-MS_negative_hilic_v2_maf.tsvftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS14505/m_MTBLS14505_LC-MS_positive_hilic_v2_maf.tsvftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS14505/a_MTBLS14505_LC-MS_positive_hilic.txtftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS14505/s_MTBLS14505.txtftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS14505/a_MTBLS14505_LC-MS_negative_hilic.txtftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS14505/i_Investigation.txtprimaryOK200ftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS14505<p>Metabolite identification was performed by comparing the accurate m/z values (&lt;10 ppm mass error) and MS/MS spectra with an in-house database built using authentic reference standards. Statistical and bioinformatic analyses were conducted using SIMCA software and MetaboAnalyst 5.0 platform. Differentially abundant metabolites (DAMs) were identified using two criteria: (1) adjusted P-value (Benjamini–Hochberg FDR correction) &lt; 0.05 combined with fold change &gt; 2; or (2) adjusted ANOVA P-value &lt; 0.05 combined with variable importance in projection (VIP) score &gt; 1.</p>MetaboLightsPublicLiquid Chromatography MS - positive - hilicLiquid Chromatography MS - negative - hilic<p>Chromatographic separation was performed using an Agilent 1290 Infinity UHPLC system (Agilent Technologies, USA) coupled with an ACQUITY UPLC BEH Amide column (2.1 mm × 100 mm, 1.7 µm; Waters, Ireland) for HILIC-based metabolite separation. </p><p><br></p><p>Mobile phase A consisted of 25 mM ammonium acetate and 25 mM ammonium hydroxide in water, and mobile phase B was acetonitrile. The elution gradient was as follows: initial 95% B held for 30 s; linear decrease to 65% B over 6.5 min; further reduction to 40% B within 1 min; held at 40% B for 1 min; then ramped back to 95% B in 10 s, followed by a 3-minute re-equilibration phase.</p>Multiomic analysis reveals a role of Fusobacterium periodonticum in colorectal tumorigenesis by decanoic acid promoting neutrophil chemotaxis.Peking Union Medical Colledge HospitalXiaobing Chufecesmass spectrometry assay<p>Fecal samples were immediately frozen in liquid nitrogen and ground into a fine powder.For metabolite extraction, 1000 uL methanol/acetonitrile/H2O (2:2:1, v/v/v) as ahomogenized solution was added. The mixture was subsequently centrifuged at 14000X g for 20 min (4 °C). The supernatant was dried in a vacuum centrifuge. For furtherliquid chromatography-mass spectrometry (LC-MS) analysis, the samples wereredissolved in 100 uL acetonitrile/water (1:1, v/v) and centrifuged at 14000 x g for 15min, after which the supernatants were transferred to vials for LC-MS analysis.</p>Homo sapienshttps://www.ebi.ac.uk/metabolights/MTBLS14505Xiaobing Chu. Peking Union Medical College Hospital. 2543573131@qq.com.Xinmiao Jia.Lingjuan Jiang.Qiwen Yang. Peking Union Medical College Hospital. yangqiwen81@vip.163.com.Yiyi Gong.Juan Du.<p>Raw MS data were converted to mzXML format using ProteoWizard MSConvert. The converted files were imported into XCMS software for feature detection, alignment, and integration. Isotopes and adduct annotations were performed using the CAMERA (Collection of Algorithms of MEtabolite pRofile Annotation) package. Only variables with more than 50% non-zero measurements in at least one group were retained for subsequent analysis.</p>Disease status2543573131@qq.com<p>Fecal samples were collected from 53 CRC patients, 35 CRA patients and 35 HCs andstored within 2 h of collection at -80 °C.</p>MetabolomicsMulti-omics studyMetabolomicscolorectal canceruntargeted analysisHomo sapienshuman fecal sampleAgilent 1290 Infinity HPLCpooled sampleAB SCIEX TripleTOF 6600fecesuntargeted metabolite profilingMulti-omics studyMetabolomicscolorectal canceruntargeted analysisHomo sapienshuman fecal sampleAgilent 1290 Infinity HPLCpooled sampleAB SCIEX TripleTOF 6600fecesuntargeted metabolite profiling<p>Mass spectrometric analysis was performed using an AB Sciex TripleTOF 6600 system (AB Sciex, USA) equipped with an electrospray ionization (ESI) source. </p><p><br></p><p>The instrument was operated in both positive and negative ionization modes. The ESI source parameters were as follows: Ion Source Gas 1 (Gas1) and Gas 2 (Gas2) at 60 psi, Curtain Gas (CUR) at 30 psi, source temperature at 600 °C, and IonSpray Voltage Floating (ISVF) at ±5500 V. </p><p><br></p><p>For MS acquisition, the m/z range was set to 60–1000 Da with an accumulation time of 0.20 s per spectrum. For MS/MS acquisition, the m/z range was set to 25–1000 Da with an accumulation time of 0.05 s per spectrum. Product ion scans were acquired using information-dependent acquisition (IDA) in high-sensitivity mode. The collision energy (CE) was set at 35 ± 15 eV. Isotopes within 4 Da were excluded, and the number of candidate ions monitored per cycle was set to 10.</p>(-)-.alpha.-kainic acidOlanzapine1-o-hexadecyl-2-o-acetyl-sn-glyceryl-3-phosphorylcholineSalmeterol2(1h)-pyridinoneRiboflavinMilnacipranSolanidineErgocalciferol (Vitamin D2)1-o-octadecyl-sn-glyceryl-3-phosphorylcholineStearoylcarnitine(s)-cotinine n-oxideLuteinizing hormone releasing hormone humanL-HistidineReserpineCefaclorMangostine12-ketodeoxycholic acidDL-prolineBiotinD-erythro-sphingosine-1-phosphateScopoletinL-ProlinePaxillineMethyl indole-3-acetateAmphetamine4-androsten-17.beta.-ol-3-one glucosiduronateNeomycinAmlodipineMethylphenidateFeruloyl tyramineLeukotriene b4 ethanolamideTazarotenic acidIohexolPilocarpineTetrahydrofolateGlycineMirtazapine n-oxideN6-Acetyl-L-lysineMyristoyl-l-carnitineGln-metN,n'-diacetylchitobioseArginineGlu-ArgSclareolIopamidol(-)-epigallocatechinPropafenoneDipicolinic acidN-oleoyl-d-erythro-sphinganineMorin5-androstene-3.beta.,17.beta.-diolMiglitolLeucylleucineP-tolyl-.beta.-d-glucuronide4-hydroxy-3-methoxybenzyl alcohol1,2-dioleoyl-sn-glycero-3-phosphoethanolamine-n,n-dimethylN6-Methyl-L-lysineDecanoyl-l-carnitineL-carnitineMaltopentaoseFexofenadineRotenoneN-lauroyl-d-erythro-sphinganineTrans-4-Hydroxy-L-prolineDihydrocapsaicinOleamideBetulinic acidMethylergonovineMycophenolate mofetilCiprofloxacinAflatoxin g2Lidocaine5-aminolevulinic acidL-ArabitolDL-argininePropofol .beta.-d-glucuronideHarmaneRitonavirBisdemethoxycurcuminUrsocholic acidSialyl lewis xDL-LysineAnthocyanidin base + 5o, 1meo, o-hex, o-hex-coumaroylhexMetaproterenolBata-hydroxypyruvic acidOctanoylcarnitineMesteroloneAflatoxin b2Vanillic acid2-[[7-hydroxy-1-(4-hydroxy-3,5-dimethoxyphenyl)-3-(hydroxymethyl)-6,8-dimethoxy-1,2,3,4-tetrahydronaphthalen-2-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triolCrustecdysoneGln-proCoproporphyrin IBiliverdin4-hydroxybenzyl alcoholDihydrotachysterolL-FucoseBenzyl alcoholL-norvalineBosutinibD-(+)-mannosePalmitoyl sphingomyelinSulfamethazineL-saccharopineUridineBenzoic acid eugenyl esterRaloxifeneSoyasapogenol b base + o-hexa-hexa-dhex, o-c6h7o3(ddmp)MetforminEnterodiol12(13)-epoxy-9z-octadecenoic acidFluvoxamineN-nitrosopyrrolidine5.alpha.-androstane-3,17-dionePindololDimethylallyl pyrophosphate5-aminovaleric acidIndole-3-carbinolL-glutarylcarnitineFusidic acidBeclomethasoneFumonisin b2Scutellarein tetramethyl etherLosartanD-xylose.beta.-muricholic acidPyroquilonDelta-tocopherolN.epsilon.-methyl-l-lysineDiethanolamine5-methyltetrahydrofolic acid1,2-di-(9z,12z,15z-octadecatrienoyl)-sn-glycero-3-phosphocholineKaempferitrinThiamineAdenosine.gamma.-aminobutyric acidThyrotropin-releasing hormoneSuberylglycineGlycochenodeoxycholate3-amino-1-propanolMexiletine4-imidazoleacrylic acid(+)-.alpha.-tocopherol1-behenoyl-2-hydroxy-sn-glycero-3-phosphocholine1-octen-3-olAcitretinIopromideMatairesinolFurostane base -2h + o-hex, o-hex-hex-dhexDibucaineCis-11,14-eicosadienoic acidPhenyl salicylateDl-homocysteine3,4-dihydroxy-l-phenylalanineLevofloxacinMelatoninClarithromycinPropentofyllineDaidzinStearidonic acidSitagliptinAripiprazoleErythritolGlycylprolinePhlorizinOphthalmatePC(16:0/16:0)SphingosineLovatatin1-methylhistidineDisulfiramChlorhexidineLeukotriene b4 dimethylamide1-phenylethanolFolinic acidAmantadinePhe-pro3,5,7,3',4'-pentahydroxyflavanoneThreonineLopinavirSpectinomycinAcyclovirTelmisartan1-(1z-hexadecenyl)-sn-glycero-3-phosphocholinePsychosine1-(1z-octadecenyl)-2-(5z,8z,11z,14z-eicosatetraenoyl)-sn-glycero-3-phosphoethanolamineChamazulene3-methyl-2-buten-1-olAmoxicillinCyclobenzaprine7-ethyl-10-(4-amino-1-piperidino)carbonyloxycamptothecin(4r)-4-((1r,3s,5s,7r,9s,10s,12s,13r,14s,17r)-1,3,7,12-tetrahydroxy-10,13-dimethylhexadecahydro-1h-cyclopenta[a]phenanthren-17-yl)pentanoic acidVildagliptinAlpha-tochopheryl acetateLinoleoylcarnitineCabergolineO-phosphoethanolaminePhenylacetaldehydeValsartanBradykinin hydroxyprolineCurcumenolPheniramineClindamycinHydroxyprolineDl-.alpha.-phenylglycineTetraethylene glycolLauroyl-l-carnitineGuanineTrihydroxycholestanoic acid1-palmitoyl-2-oleoyl-sn-glycerolPiperine3,5-dimethoxy-4-hydroxycinnamic acid1-octadecyl lysophosphatidic acidS-methyl-5'-thioadenosineAlprenolol2-amino-1-phenylethanolQuetiapineAprepitantCreatinineTaurolithocholic acidParoxetineConiferinFlunisolide.alpha.-iononeL-propionylcarnitineNoscapine1-methyladenosineProlintaneAll-trans-4-hydroxyretinoic acidN-.alpha.-acetyl-l-ornithineDiacetylPitavastatinCyproheptadinecis-9-Palmitoleic acid5-Aminopentanoic acidStachydrineTris(hydroxymethyl)aminomethane2-hydroxyestroneArachidonoyl ethanolamidePargylineNAD+4-hydroxyphenethyl alcoholN-acetylputrescineTrans-4-(aminomethyl)cyclohexanecarboxylic acidLinoleoyl ethanolamideAstaxanthinIsochlorogenic acid b1-stearoyl-2-arachidonoyl-sn-glycero-3-phospho-(1'-myo-inositol)2-EthoxyethanolLicoisoflavone aZingerone1-(1z-octadecenyl)-sn-glycero-3-phosphocholineGlycocholate.delta.-dodecalactoneBosentanBetaine5-(2-hydroxyethyl)-4-methylthiazoleMirtazapineEthyl hydrogen malonateGlutethimideWarfarinFluconazoleHomoharringtonine4'-hydroxydiclofenacPioglitazonePiperettineAdrenosteroneEnrofloxacin15-oxo-5z,8z,11z,13e-eicosatetraenoic acidPro-ThrZolpidemAtorvastatinAcetyl coenzyme aColchicineMorphine-3-glucuronideAndrostanedioneEthylmorphineAsiatic acidTrilaurinGenisteinGuanidineEntecavir2-linoleoylglycerolDimethylbenzimidazoleRoxithromycin.beta.-thujaplicinHydrocortisonePyrimethanilGenipinNorethindroneN-nitrosonornicotineTestosterone enanthatePhytolaccasaponin GSphinganineStrychnine11,14,17-eicosatrienoic acid, (z,z,z)-RamiprilatHis-LysAmitriptylineL-pyroglutamic acidGramineThymine7.alpha.,24(s)-dihydroxycholesterolLisdexamfetamineSphingomyelin (d18:1/18:0)Hexanoyl-l-carnitineEsfenvalerate7-methylguanineNudifloramideTrifluoroperazineFluocinolone acetonide6-aminocaproic acidDexmedetomidine2-oleoyl-1-palmitoyl-sn-glycero-3-phosphocholineProgesteroneN-acetyl-dl-valineFlecainideGlu-ProS-allyl-l-cysteine16-Hydroxypalmitic acidHexamethylenetetramineTrans-cinnamic acid3'-galactosyllactose2-acetyl-3-methylpyrazineXanthohumolEphedrine2-aminobenzamideDapsoneN-(dodecanoyl)sphing-4-enineTrospiumLoratadineDihydrofolic acidGlutaraldehyde2-acetamido-2-deoxy-beta-d-glucosylamineLewis a trisaccharideGuanosine 3',5'-cyclic monophosphateGamma-l-glutamyl-l-glutamic acid1-palmitoyl-2-docosahexaenoyl-sn-glycero-3-phosphocholineEprosartanRhynchophyllineAgmatineMyristoleic acidL-LeucinePyridoxalIsoliquiritigeninTrigonellinePodofiloxAngiotensin iii1,2-dipentadecanoyl-sn-glycero-3-phosphoethanolamineAnabasineAcetohexamide5'-deoxyadenosineNg,ng-dimethyl-l-arginineGly-LeuGlycerolPentamidinetrans-Vaccenic acidEstazolam2'-deoxycytidineL-aspartic acid5-L-Glutamyl-L-alanineCarbinoxamine3-Hydroxydodecanoic acidRetinoic acidSolanidine base + o-hex-dhexLinezolidTopiramateGabapentin2-oleoyl-1-stearoyl-sn-glycero-3-phosphoserineCelastrol(3.beta.,5.alpha.)-4,4-dimethylcholesta-8,14,24-trien-3-ol3-aminobutanoic acidPrilocaine2-amino-3,8-dimethylimidazo[4,5-f ]quinoxalineTriethanolamineN-acetylcadaverineL-cystinePapaverineOleoyl-l-carnitineDl-normetanephrineAmygdalinNiacinamideDopamineSerotoninValproic acid .beta.-d-glucuronide7.alpha.-hydroxy-4-cholesten-3-oneN-OleoylethanolamineTamoxifenN-acetylneuraminateGlucose-6-phosphateCholesterolNifedipine(+)-catechinTangeritinChorismic acidDofetilideN-(dodecanoyl)sphing-4-enine-1-phosphateEicosapentaenoic acid.alpha.-L-Glu-L-TyrCuminaldehydeTaurocholate3alpha,7beta,12alpha-trihydroxy-5beta-cholan-24-oic acidAzithromycinNilutamideGln-lysMorphinePromazineN-acetylhistamineCreatineHarmineGossypolTriamcinolone diacetateN-desbutylbupivacaineRopiniroleAcetyleugenol(-)-myrtenolPhytosphingosinePro-hypOxandroloneBilobetinFenpropimorphGlu-HisCytosine2-hydroxyatrazineEthosuximidePyrrol4-hydroperoxy-2-nonenalO-phosphotyrosine2-[[5-[[2,12-dihydroxy-4,4,10,13,14-pentamethyl-17-(1,5,6-trihydroxy-6-methylheptan-2-yl)-2,3,5,6,7,11,12,15,16,17-decahydro-1h-cyclopenta[a]phenanthren-3-yl]oxy]-3-hydroxy-3-methyl-5-oxopentanoyl]amino]acetic acidTrimipramineDipyridamole3,4-dihydrocoumarinErythromycinBisoprololQuinine1-palmitoyl-sn-glycero-3-phosphocholine1-oleoyl-sn-glycero-3-phosphoethanolamineFlusilazoleSepiapterinMontelukast sulfoxideCarvedilolHypoxanthine2-furanpropanoic acid, 3-carboxy-4-methyl-5-propyl-IdarubicinBisphenol a diglycidyl etherN-oxyclozapinePalmitoyl ethanolamide1-palmitoyl-2-myristoyl-sn-glycero-3-phosphocholineL-ArgininePermethrinalpha-Linolenic acidAndrostan-3-ol-17-one 3-glucuronideDesmosterolLomefloxacin1-oleoyl-sn-glycero-3-phosphocholinePhenylethylaminePimozideD-pipecolinic acidErioglaucine[6]-shogaol1-stearoyl-2-linoleoyl-sn-glycero-3-phospho-l-serineLosartancarboxaldehydeDiosminPiperlonguminineCytarabine1,2-dioleoyl-sn-glyceroltrans-cinnamateGln-ser1,2-dipalmitoleoyl-sn-glycero-3-phosphocholineN6,N6,N6-Trimethyl-L-lysineN-acetyl-.beta.-d-mannosamineIndinavirNicotinate d-ribonucleotideHarmalineCaptoprilCodeine-6-.beta.-d-glucuronideAdenineN2-Acetyl-L-ornithine7-methoxycoumarinCortisoneGln-thrOmeprazoleNaloxoneEnalaprilatEthambutolDL-tyrosinePro-TrpDL-Glutamic acidEbastine.gamma.-l-glu-.epsilon.-l-lysDarunavir.beta.-nicotinamide adenine dinucleotide, reduced(NADH)(2e,4e)-hexa-2,4-dienoic acidGartaninN-acetyl-d-lactosamineDemethylnobiletin3'-fucosyllactose4-cholestenoneChitobioseLntHistidinePhosphonoacetateAnserine.omega.-3 arachidonic acidPantethine3-MethylhistidineTyraminePrazepam7,8-dihydroneopterinMetyraponeRutamarinProstaglandin a2Deoxyadenosine1,5-pentanediamineTricyclazoleEpigallocatechin gallate.beta.-sitosterolAntipyrineNicotinamideLinustatinMetronidazoleFormononetinGlycerophosphocholine3-methyladenineErgothioneineBenzoic acid ethyl ester1-Aminocyclopropanecarboxylic acidMaslinic acidAmikacin25-hydroxyvitamin D3N-methyltyramineNorharmaneTetrahydro-l-biopterin7-methyladenine1-myristoyl-sn-glycero-3-phosphocholineDipivefrine1-pentadecanoyl-sn-glycero-3-phosphocholineLewis x trisaccharideThiethylperazineIndoleacetic acidCynarinDiethylcarbamazine3-aminohexanoic acidBetaine aldehydePyridoxamine9-hydroxyrisperidoneAlanineNisoldipineIsomaltoseLinoelaidic acidBufotenineEDTAL-palmitoylcarnitinePramoxinePyridoxamine (PM)Nobiletin1,2-dilinolenoyl-sn-glycero-3-phosphoethanolamine2',3'-dideoxycytidineCis-jasmoneAcetylcholineSildenafilFluorometholone2,3-dimethoxyphenol2,6-dimethoxyphenolAcetylcysteineSofalconeCoumaroyl putrescinGlu-ThrD-neopterinUrsodeoxycholic acidDiosmetin(+)-isocorydineAnilineSulfinpyrazoneCis-7,10,13,16,19-docosapentaenoic acid1-stearoyl-2-docosahexaenoyl-sn-glycero-3-phosphocholine(2e,4e,12z)-n-(2-methylpropyl)octadeca-2,4,12-trienamideIndole-3-acetaldehyde1-deoxynojirimycinL-pipecolic acidMaltoseL-hydroxyarginine1,2-dioleoyl-sn-glycero-3-phosphoethanolamineGlycyl-L-leucine3-dehydrocarnitineHistamineFluphenazineMethyltyrosinateEplerenoneIrbesartan1-methylhistamineBis(2-ethylhexyl) adipateSolasodineN-acetyl-d-glucosamine2'-deoxyinosinePicrotoxinin(r)-butyrylcarnitineProtoporphyrin ixSarsasapogeninFenamiphosGemcitabine15-deoxy-delta-12,14-pgj2N-methyl-l-glutamic acidN,n-dimethylaniline3-methyl-l-histidineAxillarinTaurodeoxycholic acidCitalopram1-lignoceroyl-2-hydroxy-sn-glycero-3-phosphocholine1h-pyrano[3',4':6,7]indolizino[1,2-b]quinoline-3,14(4h,12h)-dione, 4,11-diethyl-4,9-dihydroxy-, (4s)-1-heptadecanoyl-sn-glycero-3-phosphocholinePyrrolidine4-androstene-11.beta.,17.beta.-diol-3-oneDiallyl sulfideN-acetylglucosamineLanosterolM-cresolTripelenamine2-aminoadipic acidOlomoucineNicotinateDethiobiotinTerfenadineTrichostachine5-Hydroxyindoleacetate9-nitrooleic acidPhosphocreatineNortrachelogeninSynephrineIrinotecanLactoseAndrostane-3,17-diol, (3.beta.,5.alpha.,17.beta.)-9-cis-retinolDeoxycytidineN6-methyladenineNorvalineEstroneGln-AlaDaidzein1,7-DimethylxanthinefalseMultiomic analysis reveals a role of Fusobacterium periodonticum in colorectal tumorigenesis by decanoic acid promoting neutrophil chemotaxisGut microbiota dysbiosis and immune dysregulation are closely linked to colorectal cancer development. Identifying mechanistic connections among specific microbial species, metabolites, and immune responses may reveal novel insights into its pathogenesis. Here, employing metagenomic, metabolomic, and single-cell transcriptomic analyses across clinical cohorts, we identify Fusobacterium periodonticum as significantly enriched in colorectal cancer patients and strongly correlated with elevated decanoic acid levels, and further reveal tissue-specific neutrophil enrichment in colorectal cancer. Cellular experiments demonstrate that decanoic acid induces neutrophil late apoptosis/necrosis and enhances chemotaxis through a pertussis toxin-sensitive G-protein-dependent mechanism, while upregulating genes associated with leukocyte migration and tumorigenesis. Mouse models further confirm that F. periodonticum colonization increases dysplasia and decanoic acid levels, and that decanoic acid intervention promotes tumor progression through neutrophil infiltration and immune modulation. Our study reveals an important role of F. periodonticum in colorectal tumorigenesis via decanoic acid-medicated neutrophil chemotaxis, providing new insights into colorectal cancer 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