MetaboLights

application/xml

ftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS13238/m_MTBLS13238_LC-MS_positive_hilic_metabolite_profiling_v2_maf.tsvftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS13238/m_MTBLS13238_LC-MS_negative_hilic_metabolite_profiling_v2_maf.tsvftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS13238/i_Investigation.txtftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS13238/s_MTBLS13238.txtftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS13238/a_MTBLS13238_LC-MS_negative_hilic_metabolite_profiling.txtftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS13238/a_MTBLS13238_LC-MS_positive_hilic_metabolite_profiling.txtprimary200OKftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS13238After data preprocessing in Progenesis QI, metabolic features (defined by unique combinations of retention time and m/z) were extracted. For each feature, the software performed database searching to match experimental data (accurate mass, MS/MS fragments if available) with reference metabolite information. A mass deviation tolerance of 5 ppm was set for accurate mass matching to ensure reliability.MetaboLightsPublicLiquid Chromatography MS - positive - HILICLiquid Chromatography MS - negative - HILICPositive ion mode (POS):Mobile phase A: 10 mM ammonium acetate in acetonitrile:water (95:5, v/v) with 0.1% formic acid.Mobile phase B: 10 mM ammonium acetate in acetonitrile:water (50:50, v/v) with 0.1% formic acid.Negative ion mode (NEG):Mobile phase A: 10 mM ammonium acetate in acetonitrile:water (95:5, v/v), pH adjusted to 8.0 with ammonia solution.Mobile phase B: 10 mM ammonium acetate in acetonitrile:water (50:50, v/v), pH adjusted to 8.0 with ammonia solution.Samples were separated using a micro-liter flow ultra-high performance liquid chromatography (UHPLC) system, Nexera UHPLC LC-30A. First, the chromatographic column was equilibrated with 98% mobile phase A. Subsequently, samples were delivered to a HILIC column (Waters, ACQUITY UPLC BEH Amide, 1.7 μm, 2.1×100 mm) via an autosampler, with a flow rate of 0.3 mL/min. The elution gradient was as follows: starting with 2% mobile phase B for 0.5 minutes, then increasing mobile phase B from 2% to 98% over the next 11.5 minutes. After maintaining 98% mobile phase B for 4 minutes, it was adjusted back to 2% mobile phase B within 0.1 minutes, followed by a 1.9-minute washing period at 2% mobile phase B.Plasma metabolomic and lipidomic signatures characteristic of treatment non-response in rheumatoid arthritis. 10.3389/fimmu.2026.1787287.Taizhou Hospital of Zhejiang Province affiliated to Wenzhou Medical UniversityJiaxi Chenblood plasmamass spectrometry assaySamples were slowly thawed at 4°C. An appropriate amount of sample was taken and mixed with 4 volumes of pre-cooled methanol/acetonitrile solution (1:1), vortexed for 30 seconds, and then incubated at -20°C for 1 hour. After centrifugation at 14,000g and 4°C for 20 minutes, the supernatant was transferred to a new EP tube, dried under vacuum at room temperature, and stored at -80°C.Preparation of quality control (QC) samples: Equal volumes of all samples were pooled to prepare QC samples. The QC samples were processed in parallel using the above-described method, lyophilized, and stored at low temperature for later use.Homo sapienshttps://www.ebi.ac.uk/metabolights/MTBLS13238Jiaxi Chen. Clinical laboratory. Taizhou Hospital of Zhejiang Province affiliated to Wenzhou Medical University. chenjx@enzemed.com.Jiani Chen. Clinical laboratory. Taizhou Hospital of Zhejiang Province affiliated to Wenzhou Medical University. 503192838@qq.com.The raw mass spectrometry data (RAW files) generated by the Q Exactive HF-X mass spectrometer were first converted into open-format files using Thermo Fisher Xcalibur software (or its built-in file conversion tool) to ensure compatibility with downstream analysis platforms. This conversion step retained key information such as retention time, m/z values, and ion intensities while standardizing the data structure.Subsequently, the converted data were imported into Progenesis QI software for further preprocessing, including noise reduction, baseline correction, peak alignment across samples, and normalization (e.g., QC-based normalization to minimize systematic variations). These steps transformed the raw spectral data into a quantitative matrix of metabolic features (rows: features; columns: samples), laying the foundation for subsequent feature identification and metabolite annotation.TreatmentDisease stagingchenjx@enzemed.comPeripheral blood samples were collected from 30 patients with RA and 10 HC. All RA patients fulfilled the diagnostic criteria established by the American College of Rheumatology (ACR) or the European League Against Rheumatism (EULAR) guidelines. All RA participants were receiving treatment with at least one DMARD and fulfilled the following inclusion criteria: age ≥18 years and a disease duration of at least 6 weeks. Exclusion criteria for RA patients included: (1) a diagnosis of any autoimmune disease other than RA, (2) a history of severe chronic infections or the presence of any current infection, (3) diagnosis of cancer, (4) pregnancy or lactation. HC were required to meet the inclusion criteria of being ≥18 years old with normal results from recent liver and kidney function tests. The exclusion criteria for healthy controls were: (1) a diagnosis of any autoimmune disease, (2) a history of severe chronic infections or the presence of any current infection, (3) diagnosis of cancer, and (4) pregnancy or lactation. Venous blood samples were obtained from all participants in the morning prior to breakfast. Following collection, blood samples were centrifuged to isolate plasma, which was stored at −80 °C until further analysis. Details of the cohort can be found in Table 1 of the paper associated with this study.Metabolomicsultra-performance liquid chromatography-mass spectrometryPlasmablood plasmaQC sample metricuntargeted analysisThermo Scientific Q Exactive HF-Xultra-performance liquid chromatographyuntargeted metabolitesHomo sapiensrheumatoid arthritisEvaluation of Response to Treatmentultra-performance liquid chromatography-mass spectrometryPlasmablood plasmaQC sample metricuntargeted analysisThermo Scientific Q Exactive HF-Xultra-performance liquid chromatographyuntargeted metabolitesHomo sapiensrheumatoid arthritisEvaluation of Response to TreatmentAfter separation by the analytical column, the samples were analyzed using a Q Exactive HF-X mass spectrometer. Data were acquired in positive and negative ion modes separately. For full-scan MS (MS¹), the mass-to-charge (m/z) range was 70–1050, with a resolution of 120,000, an automatic gain control (AGC) target of 3e6, and a maximum ion injection time (IT) of 100 ms. For tandem MS (MS²), the resolution was 7,500, an AGC target of 2e5, and a maximum IT of 50 ms. Higher-energy collisional dissociation (HCD) was used for fragmentation, with normalized collision energies (NCE) set at 20, 40, and 60. The isolation window was 1.5 m/z, and the m/z range for product ions was 200–2000.PS(18:0/18:0)24-Methyl-24-methoxycycloartanolLysoPA(24:1(15Z)/0:0)Cephaloglycin(10E,13E)-Nonadeca-10,13-dienoylcarnitineCefuroximeKinetinN,N'-Diacetylchitobiosyldiphosphodolichol4-Sulfoxyphenylacetyl dehydroalanine6-Methylpteridine-2,4-diamineNitroimidazo-oxazineAcetamide, 2-(diethylamino)-N-(2-(octyloxy)phenyl)-SCHRADAN3-DechloroethylifosfamideD-Glucuronic acidIsoeugenol phenylacetate2-Ethyl-1-hexanol sulfate3'-Hydroxyflavanone2-[4-[4-(4-Carbamimidoylphenyl)piperazin-1-yl]piperidin-1-yl]acetic acid4,5-Dihydro-6-(4-(imidazol-1-yl)phenyl)-5-methyl-3(2H)-pyridazinoneLerisetron1,1-DiphenylhexatrieneThiazinamiumN2-AcetylornithineN-Nervonoyl Aspartic acidArginylprolineN-Gluconyl ethanolaminem-chlorophenylpiperazine (m-CPP)Digitoxigenin bisdigitoxide2,4,12-Octadecatrienoic acid isobutylamide[(2S,3S,4S,5S,6R)-4,5-Dihydroxy-2,6-dimethyloxan-3-yl] hydrogen sulfate(Z)-9-Cycloheptadecen-1-oneAvocadyne 2-acetateLysoPC(14:0/0:0)DG(15:0/16:1(9Z)/0:0)1-(8Z,11Z,14Z-eicosatrienoyl)-glycero-3-phosphate(R)-2-Amino-N-(2,2,4,4-tetramethyl-3-thietanyl)propanamideChenodeoxycholylmethionine5-Fluoro-adb, (+/-)-2-DiethylaminoethanolPE(DiMe(13,5)/LTE4)AcifluorfenN-((1R,2S,4S)-Bicyclo[2.2.1]heptan-2-yl)-9-methyl-9H-purin-6-amineCer(d18:2(4E,14Z)/18:1(12Z)-2OH(9,10))VericiguatTyrosyl-Cysteine6-Benzylaminopurine2-Amino-3-methyl-1-pyrrolidin-1-YL-butan-1-one(+)-SetoclavineAlizarin complexoneEthyl 3-(4-Fluorophenyl)-3-Oxopropanoate1,3-DiisopropylbenzeneImidazotetrazineTG(8:0/8:0/8:0)4-Methoxybenzenepropanol 1-(2-sulfoglucoside)Octaethylene glycolNona-4,6-dienoylcarnitineEthylene glycol dinitrateL-GizzerosineAntalarminAminoadipic acidGentamicin CNb-PalmitoyltryptamineTG(22:1(13Z)/19:2n6/22:6(4Z,7Z,10Z,13Z,16Z,19Z))IB-MecaPA(10:0/17:0)BENZOYLARGININE-2-NAPHTHYLAMIDEN,N-Dimethylformamide dimethyl acetalTorvoside GVertilmicin(S)-Annocherine AN-(1-Deoxy-1-fructosyl)valinebeta-IononeAvocadyneSilica aerogelPolypropyleneTheasinensin CDisodium hydrogen citrate3-MethyloxindoleL-CarnitineTeleocidin B 2Jasmolone glucoside13-OxoODE131-hydroxy-magnesium-protoporphyrin IX 13-monomethyl ester1,8-Bis(dimethylamino)naphthaleneGarciduol BLysoSM(d18:0)PhytalIndolepyruvateDysprosiumL-Hexahydro-3-imino-1,2,4-oxadiazepine-3-carboxylic acid3-O-AcetylepisamarcandinLinoleic acidDG(18:0/PGF2alpha/0:0)CampesterolSM(d18:1/18:1(11Z))2-(2-Nitroimidazol-1-yl)-N-(2,2,3,3,3-pentafluoropropyl)acetamideQuindoxinbeta-SelineneMelatoninL-Phenylalanine2-Hydroxy-6-(8,11,14-pentadecatrienyl)benzoic acid4-AminobenzamidineAlvamelineCeftolozaneSphingosine2,7-Di-tert-butyl-9-fluorenylmethyl chloroformatehexadecanedioate(Z)-Methyl 3-(methylsulfinyl)-1-propenyl disulfidePC(16:0/20:3(8Z,11Z,14Z))1-(13Z,16Z-docosadienoyl)-glycero-3-phosphateN-Undecanoylglycine3-Mercaptohexyl hexanoateLisofylline5a-Androst-3-en-17-oneTropolone ASuccinylaminoimidazole carboxamideMumefuralClindamycinPterosin JCyanidin 3-(2G-glucosylrutinoside)PC(14:0/20:0)7,8-Dimethoxy-1-(4-nitrophenyl)-3,5-dihydro-2,3-benzodiazepin-4-one4-(4-chlorophenyl)-4-hydroxypiperidine1-MethylnicotinamidePS(20:0/20:4(6E,8Z,11Z,14Z)+=O(5))TetrahydrocortisolPG(a-13:0/i-16:0)Acetamide, N-(((5S)-3-(3-fluoro-4-(6-(1-methyl-1H-tetrazol-5-yl)-3-pyridinyl)phenyl)-2-oxo-5-oxazolidinyl)methyl)-PC(22:5(7Z,10Z,13Z,16Z,19Z)/14:1(9Z))DG(15:0/20:3(5Z,8Z,11Z)/0:0)Phaseollidin(6E,8E)-4,6,8-MegastigmatrienePI(18:3(6Z,9Z,12Z)/6 keto-PGF1alpha)3-Methyl-2-oxovaleric acidN-Nervonoyl Alanine1,1'-Azobis(N,N-dimethylformamide)(5Z)-13-Carboxytridec-5-enoylcarnitine7-Methylguanine2-(S-Glutathionyl)acetyl chloride2-((6-Amino-9H-purin-9-yl)methyl)-5-methyl-3-o-tolylquinazolin-4(3H)-onePC(14:0/20:3(8Z,11Z,14Z))CE(20:0)Pargyline1-(Malonylamino)cyclopropanecarboxylic acidDesmediphamTG(10:0/13:0/8:0)GyromitrinTrecetilideCer(d16:1/20:4(6Z,8E,10E,14Z)-2OH(5S,12R))PipercideN-Myristoyl ProlineErysothiopineAcrimarine HArginylvalineHomovanillin6,7-Dimethoxy-2-(piperazin-1-yl)quinazolin-4-amine(1(10)E,4E,6a,8b)-8-Angeloyloxy-14-oxo-1(10),4,11(13)-germacratrien-12,6-olidep-FluorofentanylVanillin 1,2-butylene glycol acetalL-2,4-diaminobutyric acidnorzolmitripan2-(Fluoromethyl)-3-(3,4-dihydroxyphenyl)alanineTriiodothyronine sulfatepyrimidoindole3-(4-Methylsulfonylphenyl)-4-phenyl-5-trifluoromethylisoxazoleKBT 1585 hydrochlorideMetamizolTrimethylamine N-oxide12-Oxo-2,3-dinor-10,15-phytodienoic acid5,6-Dimethyl-2,3-pyrazinedicarbonitrile1,2-DiphenylcyclobutaneN-Hexadecanoylpyrrolidine5-(3-Aminopropylphosphanyloxy)-2-(hydroxymethyl)pyran-4-oneAllysineDG(13:0/18:1(12Z)-O(9S,10R)/0:0)Dichlorophenyl-bis-triazolylpropanolAnnoglabasin FMG(0:0/22:4(7Z,10Z,13Z,16Z)/0:0)3b,7a-Dihydroxy-5b-cholanoic acidN-Linoleoyl Methionine1,25-Dihydroxy-19-norvitamin D31,2,2-Trimethylpropyl dimethylphosphinateMethyl linoleatePhenol glucuronide9-Fluorenylmethyl chloroformate1-MethyladenosineN-Stearoyl ValineMuroctasinPC(16:0/20:5(5Z,8Z,11Z,14Z,17Z))DG(17:0/PGF2alpha/0:0)1,N6-Ethenoadenosine2,1,3-Benzoxadiazole-4-sulfonic acid, 7-fluoro-TG(10:0/i-12:0/13:0)DecanenitrileOchratoxin CLysoPE(0:0/22:5(4Z,7Z,10Z,13Z,16Z))3-[(2Z,3E)-3-(Hydroxyimino)-2,3-dihydro-1H-indol-2-ylidene]-2,3-dihydro-1H-indol-2-oneRupintrivirL-Threonine1,1,1,3,3,3-Hexafluoropropane2-Hydroxy-5-[2-[[2-hydroxy-3-[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenoxy]propyl]amino]ethoxy]benzamideFalcarindioneLisurideSM(d18:0/16:1(9Z))4-Aminophenol(4-Hydroxybenzoyl)cholineDocosatrienoic acidGravolenic acidPhentermine3- Acetylphenol sulfateEdetic Acid4,4'-Bis(2-hydroxyethylethylamino)-2,2'-dimethylazobenzene3-DeazaneplanocinPA(10:0/13:0)PC(18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))8-[(Aminomethyl)sulfanyl]-6-sulfanyloctanoic acid[12]-ShogaolAzepexole24-Methylcycloart-23-en-3beta-yl acetateUbiquinone-1Dihydroceramide13-L-Hydroperoxylinoleic acid10,12-Heptacosanedione8-Methyl-3-hentriaconteneImiquimodCalcitrioltriazaacenaphthyleneN-MethylphenylethanolamineLicorice glycoside Bent-6R,16bOH,17-Trihydroxy-7-oxo-6,7-seco-19,6-kauranolide 6-O-glucosidep-AnisidineSoyasapogenol D5-Hexyltetrahydro-2-oxo-3-furancarboxylic acidDichloroisoproterenol3a,7a,12a-Trihydroxy-5b-cholestan-26-alManzamine A(Z)-6-Nonenal2,4-Dodecadienoic acid, 11-methoxy-3,7,11-trimethyl-, 1-methylethyl ester, (2Z,4E,7S)-10Z-Nonadecenoic acid3-FucosyllactoseMethyl 6-[(3S,6S,9S,12R)-3-butan-2-yl-6-[(1-methoxyindol-3-yl)methyl]-2,5,8,11-tetraoxo-1,4,7,10-tetrazabicyclo[10.4.0]hexadecan-9-yl]hexanoate2-Propyl-2,4-pentadienoic acidDopaminePirlindolealpha-Fluoro-beta-ureidopropionic acidADP-Ribosyl-L-arginineGHB-GlucFamotidineBrevifolincarboxylic acid 9-sulfate6-(Methylsulfonyl)hexyl glucosinolateEicosadienoic acidisoleucyl-thiazolidineDiethyl cyanophosphonateL-ValineEicosapentaenoic acidPA(15:0/22:2(13Z,16Z))N-(1-Adamantyl)ureaDGAT-1 inhibitor 2Mycophenolic acidCuminaldehydeL-KynurenineApitolisibCreatineMinoxidilN2-gamma-Glutamylglutamine1,4-BisdesoxycyadoxDiaveridine2,6-Dimethoxy-4-propylphenolN-(3-acetamidopropyl)pyrrolidin-2-oneGDP-4-Dehydro-6-deoxy-D-mannoseOctopineTRIAZIQUONEUmbralisib2-[(4-Benzamidophenyl)sulfonylamino]acetic acidBexaroteneHistidine glutamate3a,7a-Dihydroxy-5b-cholestaneCinnamyl acetateHeptabarbitalDihydroresveratrol 3-sulfateStallimycin4-HydroxypropofolBrassinolideClorprenalineLinotrobanAdipic acidOlamufloxacin4-Iodophenol5-HydroxyisourateHomocysteine thiolactoneAsitribinMiglustatMETAMITRONN-[[(2S,3S,4R,5R)-3,4-Dihydroxy-5-[6-[(3-iodophenyl)methylamino]purin-9-yl]oxolan-2-yl]-hydroxymethyl]-N-methylformamideDHAP(6:0)Buccoxime6-Hydroxy-5-fluorocytosine9-(3-Methyl-5-propylfuran-2-yl)nonanoylcarnitinePE(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/24:1(15Z))Methionyl-TryptophanDG(15:0/18:4(6Z,9Z,12Z,15Z)/0:0)Hexyl glucoside6-Chloro-N-(1-methylethyl)-1,3,5-triazine-2,4-diamineCinnamylideneacetone1-(11Z-docosenoyl)-glycero-3-phosphate10-(3,4-Dimethyl-5-pentylfuran-2-yl)decanoylcarnitineTiflorexPalmitoleic acidMethyl 2-(10-heptadecenyl)-6-hydroxybenzoateN-Palmitoyl Cysteine2-Amino-a-carboline7-a,25-DihydroxycholesterolTulathromycin A2'-DeoxysepiapterinmethoxycatecholamineCaproic acid(S)-NorfenfluramineDG(16:0/20:4(5Z,8Z,11Z,14Z)/0:0)3-(3-Hydroxy-4-methoxynaphthalen-1-yl)oxypropane-1,2-diol(S)C(S)S-S-Methylcysteine sulfoxideDimethylethanolamineMyristoylglycineCitpressine IPA(10:0/20:3(8Z,11Z,14Z)-2OH(5,6))Pteroic aciddelta-Tocotrienol3,5-DimethoxytolueneBicineTetrahydrobiopterin(2R,3R,4E)-2,3-Dihydroxy-5-(methylsulfanyl)pent-4-enoylcarnitine3-Hydroxyoctadecanoylcarnitine13'-Carboxy-gamma-tocopherolPentadecanoylcarnitineBerberine(S)-3-Butyl-1(3H)-isobenzofuranoneGranisetron1,2-Dihydro-1,1,6-trimethylnaphthalenePC(20:3(5Z,8Z,11Z)/22:6(5Z,7Z,10Z,13Z,16Z,19Z)-OH(4))Deoxyadenosine3-Hexenyl salicylic acidPGP(i-19:0/6 keto-PGF1alpha)Neuraminic acidCysteinylglycineEdrophonium27-Norcholestanehexol9-Deaza-9-(3-thienylmethyl)guanineCyclo(his-pro)(9E)-10-nitrooctadecenoic Acid6alpha-hydroxy-castasterone(+)-Lysergic acidHydroxyphenylacetylglycineS-(N,N-Diethyldithiocarbamoyl)-N-acetyl-L-cysteineGlycyl-l-histidyl-l-lysinePhenazine-2,3-diamineAzulene(S)-4-(4-Methylphenyl)-2-pentanoneCapsidiolSelenium SulfideSulfametopyrazinePamicogrelAcetylcysteineMalvidin 3-(6-coumaroylglucoside)(-)-trans-CarveolL-IsoleucineEndralazine5-Fluoroorotic acid5-(3',4',5'-Trihydroxyphenyl)-gamma-valerolactone-3'-O-sulphateO-b-D-Gal-(1->3)-O-[O-b-D-Gal-(1->4)-2-(acetylamino)-2-deoxy-b-D-Glc-(1->6)]-2-(acetylamino)-2-deoxy- D-GalactoseTIFLAMIZOLE4-({4-[(2,4,6-Trimethylphenyl)amino]-1,3,5-triazin-2-yl}amino)benzonitrile5-(4-Acetoxy-3-oxo-1-butynyl)-2,2'-bithiophenePalmitoylcarnitine13'-Hydroxy-alpha-tocotrienol2,2-Dimethylpropanoyloxymethyl (4R,5S,6S)-6-[(1R)-1-hydroxyethyl]-4-methyl-7-oxo-3-[(3R)-5-oxopyrrolidin-3-yl]sulfanyl-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylateLysoPC(20:4(5Z,8Z,11Z,14Z)/0:0)LysoPC(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/0:0)1-Phenyl-1,3-eicosanedioneL-Aspartic acids-Allyl cysteine sulfoxideLysoPC(22:5(4Z,7Z,10Z,13Z,16Z)/0:0)2',3-Dimethyl-4-aminobiphenylGlutamate nitrogenCerebronic acidHexylcaineTrinitrosotrimethylenetriamineTriethylene glycol monohexyl ether(9Z,11E,13E,15Z)-4-Oxo-9,11,13,15-octadecatetraenoic acidN6-Ethanimidoyl-D-lysineOctadecyl fumarateN,N-Dimethyl-4-nitrosoanilineCurcuminAnordrin3-Amino-2,3-dihydrobenzoic acid2-Hydroxymyristic acidAminopentolDG(10:0/20:3(6,8,11)-OH(5)/0:0)DethiobiotinAdibendan3,4,5-Trimethoxycinnamic acidAlpha-Trisaccharide13-Hydroxy-9-methoxy-10-oxo-11-octadecenoic acid1,5-Diphenylcarbazide2-Hexadec-7-enylicosa-8,11-dienedioic acid2-Cyclotetradecen-1-one2-(Ethylamino)-4,5-dihydroxybenzamideLevorphanol22-Acetylpriverogenin BArginylglutamic acidTG(18:0/18:2(9Z,12Z)/20:4(5Z,8Z,11Z,14Z))PE(22:4(7Z,10Z,13Z,16Z)/22:6(5Z,7Z,10Z,13Z,16Z,19Z)-OH(4))AntigastrinStreptidine4-(1,3-Benzothiazol-2-yl)-2-methylaniline(S1)-Methoxy-3-heptanethiolMeticillinSM(d18:1/14:0)PeramineConiferyl alcoholStearoylcarnitine1-(11Z-eicosenoyl)-glycero-3-phosphateAcetyl-D-carnitinePemirolastPorrigenin A2-Methylbenzoic acidbenalfocin3-(4-Methoxy-2-methylphenyl)-2,5-dimethyl-N-pentan-3-ylpyrazolo[1,5-a]pyrimidin-7-amineLysoPC(P-18:1(9Z)/0:0)Flavone(7,8-Dihydro-5-((E)-((a-(3-pyridyl)benzylidene)aminooxy)ethyl)-1-naphthyloxy)acetic acidEvogliptinHexamethylphosphoramideL-ProlineFendilineMG(0:0/24:1(15Z)/0:0)S-(3-Methyl-2-butenyl) 2-methylpropanethioatePolyoxyethylene 40 monostearateHydralazine acetone hydrazoneCysteineglutathione disulfide(+)-threo-2-Amino-3,4-dihydroxybutanoic acid1,2,3,7,8,9-Hexachlorodibenzo-P-dioxinFlumioxazin16-oxo-palmitateDicyclohexylamine1,2,3-Trihydroxybenzene2-butyl-4-hydroxy-5-methyl-3(2H)-furanoneTetrahydrodipicolinateL-AsparagineN-AcetylsphinganineOleic acidLysoPC(P-16:0/0:0)1,1,1-Trifluorohenicosa-6,9,12,15-tetraene5-hydroxyindole thiazolidine carboxylateTricyanmelaminPyranocyanin ATenuifolinCMP-3-deoxy-D-manno-octulosonate(6Z)-Pentadec-6-enoylcarnitineCDP-DG(16:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))beta-nicotinate D-ribonucleotide(2-Carbamoyl-7-oxo-1,6-diazabicyclo[3.2.1]octan-6-yl) hydrogen sulfate3-(4-Iodophenyl)-2-mercapto-(Z)-2-propenoic acidFarnesol(5Z,8Z)-1,5,8-Heptadecatriene2-(2-Furanyl)-3,4,5,6-tetrahydropyridineBis-(4-methylumbelliferyl)phosphate2-Chloro-N-[1-[(2R)-2,3-dihydroxypropyl]-2-oxo-3,4-dihydroquinolin-3-yl]-6H-thieno[2,3-b]pyrrole-5-carboxamidePC(20:1(11Z)/18:3(6Z,9Z,12Z))2,6-Dimethoxy-4-methylphenolKetoprofenPG(i-22:0/18:1(12Z)-O(9S,10R))beta-CftOctanalMarcellomycinMonepantelAmpeloside Bs1OlprinoneDiallyl 2,2'-oxydiethyl dicarbonateDioscoretineHexadecanedioic acid3-Amino-1,4-dimethyl-5H-pyrido[4,3-b]indolePristanal1,N6-Ethenoadeninetrans-Caffeic acid [apiosyl-(1->6)-glucosyl] esterMidodrineDeracoxib2',3'-Dideoxyadenosine-5-triphosphate4,4'-Thiobis-2-butanoneN-Docosahexaenoyl LeucineEnecadinIbuproxamPropionic acid, 2-methyl-2-((piperidinomethyl)thio)-4-Anilinoquinazoline3-ethoxy-1-propanol2,2,7,7-Tetramethyl-1,6-dioxaspiro[4.4]nona-3,8-diene5-O-FeruloylnigruminIsogentisin11-nitro-1-undeceneDocarpaminePC(14:0/20:1(11Z))1-Acetyl-2-methylcyclopenteneRazaxabanPA(P-16:0/18:1(12Z)-2OH(9,10))4-(Aminosulfonyl)-7-fluoro-2,1,3-benzoxadiazoleL-Menthyl acetoacetateTryptophyl-TryptophanN-Dodecylsarcosinate4'-PhosphopantothenoylcysteineHeptaethylene glycol monododecyl etherGlutaconylcarnitineArginyllysinePhosphoribosyl pyrophosphateDexanabinol5-Cholesten-3beta-25-diol-3-sulfateBenzoic acid, 2-[3,6-bis(acetyloxy)-2,7-dichloro-9H-xanthen-9-yl]-Carindone6b-Hydroxy-8a-methoxy-7(11)-eremophilen-12,8-olideIsatoribineerythro-8,10-PentatriacontanediolThelephoric acidLysoPC(18:4(6Z,9Z,12Z,15Z)/0:0)Mebeverine alcoholEGFR Inhibitor11-Hydroxy-9-tridecenoic acidPC(18:1(9Z)/P-18:1(9Z))PC(14:0/20:2(11Z,14Z))(2S,5R)-3,3-Dimethyl-2-(2-phenylethyl)-4-thia-1-azabicyclo[3.2.0]heptan-7-one4-Trimethylammoniobutanoic acid2-Amino-3-fluoropropanoic acid2,4,6-Triethyl-1,3,5-oxadithiane(-)-Fumigaclavine BPA(O-20:4(5Z,8Z,11Z,14Z)/2:0)VeliparibTricosanoylglycineCysteinyl-MethionineTsibulin 19,12-Octadecadiene, (E,E)-3-DehydrocarnitinePhenylalanylvalineMG(20:3(6,8,11)-OH(5)/0:0/0:0)Terguride7-hydroxygranisetron1,3-DifluoroacetoneFluciclovineAmantadineLysoPC(18:1(11Z)/0:0)Hexanesulfonic acid13-HODE5-MethylthioriboseCE(16:1(9Z))Urocanic acidFuranofukinin4-ene-Valproic acid[3-Methoxy-2-phosphonooxy-6-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl] dihydrogen phosphateMethyl acrylate-divinylbenzene, completely hydrolyzed, copolymerDimethyltriazenoimidazoleArginylhydroxyprolineCurcumenolgamma-Glutamyl-S-(1-propenyl)cysteine sulfoxide3,3'-DiaminobenzidineGalactonic acidbeta-Tocopheryl quinoneDL-Ornithino-L-alanineAzinphosmethyl oxonOctadecanamidePreparation 11CyclohexanoneN-acetylglutamyl-phosphateIsopropylbenzeneCorrinVipadenantPhenthoateGlycerol triundecanoateCarcinineAmifloxacinPE(20:0/PGF1alpha)PipercitineMG(0:0/16:0/0:0)DG(13:0/20:4(6Z,8E,10E,14Z)-2OH(5S,12R)/0:0)N-(2-Hydroxypropyl)valineButanoic acid, [(diethoxyphosphinyl)oxy]methyl esterCyclamic acidDodecafluoropentane3-Hydroxyhexanoylcarnitine2-PhenylacetamideMegazolDG(15:0/18:1(12Z)-O(9S,10R)/0:0)4-Hydroxystyrene3-hydroxypristanic acid4'-HydroxyclobazamTrifluridineHydroxy Tyrosol -AcetateGepotidacinArctinone A acetatePC(18:2(9Z,12Z)/P-18:1(11Z))N-[1-(2-Cyclopropylethyl)-6-fluoro-4-hydroxy-2-oxo-1,2-dihydroquinoline-3-carbonyl]glycineAacocf3N-Desmethyl tapentadolFloionolic acidCarbetocinPeonidin acetyl 3,5-diglucosideN-Methylnicotinium4-Amino-2-chlorobenzoic acid2-Fluoropyrimidine13(S)-Hydroperoxylinolenic acidPS(16:1(9Z)/24:1(15Z))(9Z,12Z,15Z)-3-Hydroxyoctadecatrienoylcarnitine6-ThioxanthineMorellinolCalcium caprateDigitoxigenin 3-[glucosyl-(1->6)-glucosyl-(1->4)-2,6-dideoxyribohexoside]5-(4-Methylphenyl)-7-tert-butyl-4,5,6,7-tetrahydro-1H-pyrazolo[3,4-d]pyrimidine-4-amineMelleolide M4H-1,3,2-Benzodioxaphosphorin, 2-(2-methylphenoxy)-, 2-oxideN-(3-Methylbut-2-EN-1-YL)-9H-purin-6-amineMetaphit5,10-Pentadecadien-1-olMisoprostolPseudoephedrineDG(15:0/18:3(6Z,9Z,12Z)/0:0)CadaverineN,N-Bis(2-chloroethyl)anilineUdenafil2-Hydroxy-4-trifluoromethyl benzoic acid2-Amino-3-methylimidazo[4,5-f]quinoline2-Bromo-1H-indole-3-carboxaldehydeFluoromisonidazole3-[(2-Benzyl-3-sulfanylpropanoyl)amino]propanoic acidN-Benzylglucamine dithiocarbamateCefodizimeAcyclovir triphosphate5-Acetylamino-6-amino-3-methyluracilPhaeophorbide bS-Oxide3-Hydroxysuberic acid3-(5,6,6-Trimethylbicyclo[2.2.1]hept-1-yl)cyclohexanolNicaravenNorcotinine1,11-Undecanedicarboxylic acid5-Fluoromethylornithine1-Phenylbiguanide27-Deoxy-5b-cyprinolo-(2-fluoroethyl)-l-tyrosineAminodeoxykanamycinbeta-AlanineN-Linoleoyl GABAtriazolophthalazineNetilmicinDG(13:0/PGF1alpha/0:0)GlucocleominDolichosteroneCiclopirox[4-((1Z)-2-(Acetylamino)-3-{[1-(1,1'-biphenyl-4-ylmethyl)-2-oxoazepan-3-YL]amino}-3-oxoprop-1-enyl)-2-formylphenyl]acetic acidN-Stearoyl Tryptophan1R-cis-3,3,5-Trimethylcyclohexyl ester5-oxo-L-proline5,6-DihydroxyuracilN-Acetylcochinol-O-phosphateFluocortolone caproateSM(d18:2(4E,14Z)/14:0)Isobutyl 10-undecenoateBiguanide7-Formyldehydrothalicsimidine3-Hydroxy-1-phenyl-1-eicosanone15-(3-Methyl-5-pentylfuran-2-yl)pentadecanoylcarnitine4-HydroxyprolinePA(8:0/17:0)(S)-Hexahydropyrrolo[1,2-a]pyrazine-1,4-dioneMaleic acid homopolymerLinoleamide3a,6b,7a,12a-Tetrahydroxy-5b-cholanoic acid1-Piperazinecarboxylic acid, 4-((3,4-dichlorophenyl)acetyl)-3-(1-pyrrolidinylmethyl)-, methyl ester, (3R)-biliverdin-IX-alphaPentadecanoic acid6''-O-alpha-D-Galactopyranosylciceritol(S)-1-(Sec-Butyl)-N-((4,6-dimethyl-2-oxo-1,2-dihydropyridin-3-yl)methyl)-3-methyl-6-(6-(piperazin-1-yl)pyridin-3-yl)-1H-indole-4-carboxamide5-AminopentanalSerotoninTG(18:0/22:4(7Z,10Z,13Z,16Z)/22:5(4Z,7Z,10Z,13Z,16Z))PG(a-17:0/6 keto-PGF1alpha)Tetraethylene glycol monododecyl ether6-FluoromevalonateCPA(18:0/0:0)PanaxatriolN-Ethyl trans-2-cis-6-nonadienamidePipericineLysoPC(18:3(6Z,9Z,12Z)/0:0)N-Palmitoyl ArginineDiethylhexyl adipate4-Hydroxy-5-(3'-hydroxyphenyl)-valeric acid-3'-O-sulphate(¡À)-Citronellyl acetate3-(Methylsulfonyl)-2-oxoimidazolidine-1-carbonyl chlorideAprobarbital11Z-Eicosenoic acidMG(20:3(8Z,11Z,14Z)-2OH(5,6)/0:0/0:0)Guanosine 3'-diphosphate 5'-triphosphate(4Z,7Z,10Z,13Z,15E,19Z)-17-Hydroxydocosa-4,7,10,13,15,19-hexaenoylcarnitine2,3-Diaminopropionic acidOleoylcarnitinePS(22:0/18:1(12Z)-O(9S,10R))20-Oxo-leukotriene E4Shyobunyl acetate(E,E)-2,4-Decadienoic isobutylamideLactapiperanol Cpsi-PelletierineGlycerol 2-(9Z,12Z-octadecadienoate) 1-hexadecanoate 3-O-[alpha-D-galactopyranosyl-(1->6)-beta-D-galactopyranoside]D-Leucic acidArachidonoyl SerinolProterguride1-Methyl-5-(4-benzoyl)pyrrole-2-acetic acid 2-(theophylline-7-yl)ethyl ester(2R)-2-Hydroxy-2-methylbutanenitrileLupinic acid5-(3-Methoxyphenyl)-3-(1-phenylethylamino)-1-[4-(trifluoromethyl)phenyl]pyrrolidin-2-one6-Hydroxyoct-2-enedioylcarnitineEndalinBetaxololPhenacemideBenznidazoleNevirapineThiopalmitic AcidDG(2:0/20:3(6,8,11)-OH(5)/0:0)PA(18:4(6Z,9Z,12Z,15Z)/PGJ2)p-CymeneButyl (S)-3-hydroxybutyrate glucosideN-Stearoyl GABAGoshuyic acidImazamethabenz1-Cycloheptyl-1-(9H-fluoren-2-ylmethyl)-3-(2,4,6-trimethylphenyl)urea4-Hydroxycyclohexylcarboxylic acid2-Hydroxybutyric acidCholylserineDG(8:0/10:0/0:0)Mometasone furoate9-(Tetrahydrofuran-2-yl)-9h-purin-6-amineHomocitrullineCholine sulfateMG(0:0/14:1(9Z)/0:0)7-Aminomethyl-7-carbaguanine3-O-cis-Coumaroylmaslinic acidLysoPC(16:0/0:0)Nicotinuric acidDiisopropylphosphateUbiquinol 84alpha-carboxy-4beta,14alpha-dimethyl-9beta,19-cyclo-5alpha-ergost-24(241)-en-3beta-olZINOSTATINN-Eicosapentaenoyl IsoleucineLidamidineProflavine(2R,3S)-3-(6-Amino-9H-purin-9-yl)nonan-2-olKynuraminePC(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:6(5Z,7Z,10Z,13Z,16Z,19Z)-OH(4))1-(Hydroxymethyl)-5,5-dimethyl-2,4-imidazolidinedioneHeptyl 4-hydroxybenzoatePG(20:1(11Z)/PGF2alpha)Z-Lly-fmk(2R,2'S)-Isobuteine3-Oxo-4,6-choladienoic acid2-HeptanoneSerylproline5-(14-Nonadecenyl)-1,3-benzenediolDG(8:0/18:1(12Z)-O(9S,10R)/0:0)(E,E)-1,6-bis(4-methoxyphenyl)-1,5-hexadieneQueuineL-MethioninePC(P-18:0/LTE4)PA(16:1(9Z)/22:2(13Z,16Z))TetramethylrhodamineMethyl 2-propenyl tetrasulfideN-(3,5-Dichloropyrid-4-yl)-(1-(4-fluorobenzyl)-5-hydroxy-indole-3-yl)glyoxylic acid amideTreosulfanDG(13:0/18:2(10E,12Z)+=O(9)/0:0)OxytetracyclineMorniflumateMosin CPyroglutamic acid4,6-Dimethyl-1-nitro-4-(trifluoromethyl)cyclohexenePA(22:1(13Z)/19:2(10Z,13Z))N-Acetyl-leukotriene E4Sodium dodecanoateBioMed 101EcdysonePropofolPC(20:1(11Z)/18:4(6Z,9Z,12Z,15Z))(2E,8E)-10-hydroxydeca-2,8-dien-4-ynoyl-CoA(2R)-1-(4-Iodophenyl)-N-propan-2-ylpropan-2-amineRilmenidine4-Chloro-2-nitrobenzylalcoholUstiloxin DAndrosteroneDihydrocurcuminFospropofol1-[(5-Amino-5-carboxypentyl)amino]-1-deoxyfructose1-HydroxyphenanthrenePA(18:1(11Z)/22:2(13Z,16Z))Diethadione3-Hydroxyisoheptanoic acidOmadacyclineLavoltidine(1E,3E)-1-(4-Fluorophenyl)-2-methyl-1-penten-3-one oxime5-Hydroxy-2-imino-1-methylimidazolidin-4-oneN-methylethanolamine phosphateChalconeN-{(2R)-2-Hydroxy-2-[(8S,11S)-8-isopropyl-6,9-dioxo-2-oxa-7,10-diazabicyclo[11.2.2]heptadeca-1(15),13,16-trien-11-YL]ethyl}-N-isopentylbenzenesulfonamide4-(2,6-Dioxo-1-propyl-2,3,6,7-tetrahydro-1H-purin-8-yl)-benzenesulfonic acid 4-nitro-phenyl esterMalic acidIpomeatetrahydrofuran3-Oxododecanoic acidAditoprim1-Methylpiperidin-4-yl butanoate(2s)-2-[6-(Sulfooxy)naphthalen-2-yl]propanoic acidDidesethyl ChloroquineFenclofenac3-Aminopropyl(diethoxymethyl)phosphinic acidOleoside dimethyl esterMethyl jasmonateEplerenoneFurcelleranBenzonitrile, 3-amino-4-((2-((dimethylamino)methyl)phenyl)thio)-6-DimethylaminopurineNonadecanoic acidN,2,3-Trimethyl-2-(1-methylethyl)butanamideS-Ethyl dipropylthiocarbamateChenodeoxycholyltyrosine1-Phenyl-1-pentanoneLirequinilAcolbifeneDisialosyl galactosyl globosideThonzylamineOxonic Acidethyl 15-methoxy-12-oxo-2,4,11-triazatetracyclo[11.4.0.0^{2,6}.0^{7,11}]heptadeca-1(13),3,5,14,16-pentaene-5-carboxylateMaclurin 3-C-(2''-galloyl-6''-p-hydroxybenzoyl-glucoside)2-Isopropylphenyl methylcarbamate2-Aminobenzoic acid2-Carboxy-4-dodecanolideMethioprimIsopeonidin 3-rutinosideMifentidineCarthaminCinnamyl cinnamate(-)-alpha-CurcumeneImazethapyrCer(d16:1/18:1(12Z)-2OH(9,10))14,15-DiHETrEO-SulfotyrosineProstaglandin F1aDG(14:1(9Z)/15:0/0:0)Tridihexethyl(3R,4R,5R)-3-Fluoro-5-(hydroxymethyl)oxolane-2,3,4-triolPrenyl caproateTabunCer(d16:1/20:3(8Z,11Z,14Z)-2OH(5,6))Domperidone[(2-Hexylcyclopentylidene)amino]thioureaXestoaminol CMagnesium myristateLysoPA(0:0/18:2(9Z,12Z))PA(a-25:0/18:1(12Z)-2OH(9,10))L-HistidineAcetylpuerarin9-Octadecenal(2R)-2-[[(2R)-2-amino-3-(1-methoxycarbonylindol-3-yl)propanoyl]-[(2S)-2-[[(2R,6S)-2,6-dimethylpiperidine-1-carbonyl]amino]-4,4-dimethylpentanoyl]amino]hexanoic acid(2E)-2-ethylidene-4-hydroxy-5-methyl-3(2H)-furanone3[N-Morpholino]propane sulfonic acid1-Benzenesulfonyl-5-ethyl-5-phenylhydantoin4,8-DimethylquinolineS-NitrosohomocysteineN-VINYL-2-PYRROLIDONECervonyl carnitineMethylimidazole acetaldehyde1-BenzoylpyrrolidineCapryloylglycineLysoPC(O-18:0/0:0)DG(13:0/20:3(8Z,11Z,14Z)-2OH(5,6)/0:0)Pibutidine1,4-UndecadieneIsoelemicinAlectinibPC(22:1(13Z)/24:1(15Z))Congressane4-Methylcatechol12,13-DHOME1-[[(Z)-[5-(Hydroxymethyl)indol-3-ylidene]methyl]amino]-2-pentylguanidinePolyvidoneLongistylin CSM(d18:1/15:0)2-Phenyl-4-piperazin-1-yl-1H-benzimidazoleProline betaine((2-Amino-3-((2-amino-3-((carboxymethyl)amino)-3-oxopropyl)dithio)propanoyl)amino)acetic acidBenzoyl peroxide3-Iodo-alpha-methyl-l-tyrosine2-Oxo-4-methylthiobutanoic acid2-Pyridinemethanamine, N-((4-(1,4,8,11-tetraazacyclotetradec-1-ylmethyl)phenyl)methyl)-[3-[(2R,6S)-2,6-Dimethylpiperidin-1-yl]-4H-oxadiazol-3-ium-5-ylidene]azanideZaldaride3-Hydroxytamoxifen (Droloxifene)Erucic acidCarbenicillin indanylTyrosyl-AspartateTracheloside(E,E)-2,4-heptadienalPI(16:1(9Z)/18:1(9Z))Indoleacetaldehydedelta-Hexanolactone8-Oxoguanine24(28)-Dehydromakisterone13-DocosenamideAsunaprevir(2xi,3xi)-2,3-Dihydroxy-12,18-ursadien-28-oic acid diacetateFlurbiprofenPhthalic acidNiceritrolMontecristinS-(5-Acetamido-2-hydroxyphenyl)cysteineScymnolBis(2-ethylhexyl) hydrogen phosphateBiapenemOrnithineCalcitriol phosphateRetinalGlutamylproline2,2-Dichloro-N-[2-hydroxy-1-(hydroxymethyl)-2-(4-nitrosophenyl)ethyl]acetamidePC(16:1(9Z)/P-18:1(11Z))PC(O-16:1(9Z)/20:0)MG(0:0/18:1(9Z)/0:0)Cimetidine sulfoxidePA(8:0/13:0)Neryl formate5-Amino-1,3,4-thiadiazole-2-sulfonamideTridecanoic acidIsorhamnetin 3-sulfate2-Hydroxynevirapine2',2'-DifluorodeoxyuridineSpirostane-3,6-dioneWyeronic acidN-Lauroylglycineo-(2,3,4,5,6-Pentafluorobenzyl)hydroxylamineNitrendipineHeptadecanalRESAZURINPersinNeolinustatinDodecyl-beta-D-maltoside5'-N-Ethylcarboxamidoadenosine(6alpha)-hydroxycampestanol3a,17a-Dihydroxy-5b-androstaneMethyleugenol2-Octenedioic acid2-[5-[(3,5-Dimethyl-1H-pyrrol-2-yl)methylidene]-4-methoxy-2-pyrrolylidene]indoleDocosa-4,7,10,13,16-pentaenoyl carnitine3-Amino-4-(3-hexylphenylamino)-4-oxobutylphosphonic acidTetradecanedioic acid4-AminobutyraldehydeThioguanineEthacrynic acid(4-Chlorophenyl) (1R)-6-chloro-1-(4-methoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxylatePhenformin5-Doxyl(E)-4-Hepten-2-oneDG(15:0/20:4(6E,8Z,11Z,14Z)+=O(5)/0:0)BentazepamBiphenylVephylline3'-DEOXY-3'-FLUOROTHYMIDINE2-Ketobutyric acidDocosadienoate (22:2n6)Glucocorticoid receptor agonistsimvastatin hydroxy acid5-Hydroxy-7,3',4'-trimethoxy-8-methylisoflavone 5-neohesperidoside3-Hydroxyamino-4,6-dimethyldipyrido(1,2-a:3',2'-d)imidazoleL-cis-3-Amino-2-pyrrolidinecarboxylic acidGDP-alpha-D-glucoseLysoPI(18:2(9Z,12Z)/0:0)Tyrosine methylesterAcetaminophenFlucytosineHeptaminolCenisertibAzastenePyrano(2,3-c)pyrazol-6(2H)-one, 3,4-dimethyl-2-(2-thienylmethyl)-3-Hydroxyhippuric acid sulfateGuanineImigliptinCer(d18:0/6 keto-PGF1alpha)1-[(4-Aminophenyl)methyl]-3-(3-nitrophenyl)imidazo[4,5-b]pyridin-2-one9-Azabicyclo[3.3.1]nonan-3-one10,11-Dihydro-12R-hydroxy-leukotriene E4CE(22:4(7Z,10Z,13Z,16Z))Chlorin E61,2-Diacylglycerol-LD-PI-poolXanthosine28-Hydroxyglycyrrhetic acidN-Docosahexaenoyl TryptophanPA(8:0/18:1(12Z)-O(9S,10R))8-Methylnonenoate3-(N-n-Octadecylcarbamoyloxy)-2-methoxypropyl-2-thiazolinium ethyl phosphateImidazolidineBehenoylglycinePGP(a-21:0/20:3(6,8,11)-OH(5))Lactarofulvene1-(2-Thienyl)-1-butanoneLysoPA(20:2(11Z,14Z)/0:0)Glycocholic acidZingeroneLithocholyltaurineIlepatril1-alkyl-2-acylglycerophosphoethanolamineGenistein 4'-glucuronide-7-sulfateDescyclopropyl AbacavirN-Methyl-2-[3-(trifluoromethyl)phenyl]-3,4-dihydropyrazol-5-amineTubastatin ADG(13:0/22:6(5Z,7Z,10Z,13Z,16Z,19Z)-OH(4)/0:0)1,5-Dihydro-7-(1-piperidinyl)-imidazo(2,1-b)quinazolin-2(3H)-oneGlycerol phenylbutyrateCytosine-5-carboxylic acidLopirazepam3-Sulfopropyl methacrylateVerimol C2-Amino-3,4-dimethylimidazo[4,5-f]quinolineDorzolamideBisphenol SRibalinium7-HydroxyflumequineAcyclovir monophosphateBisphenol ADG(13:0/20:3(6,8,11)-OH(5)/0:0)AgomelatinePA(a-25:0/18:1(12Z)-O(9S,10R))2-Amino-3,4,8-trimethyl-3H-imidazo[4,5-f]quinoxaline3beta-Acetoxy-11alpha-methoxy-12-ursen-28-oic acidIguratimod1,2,3,4-Tetrahydro-beta-carbolineVardenafilAzimexonSafroleHistidylprolineamideMefluidideResiquimodPyridine N-oxide glucuronideTripropyl phosphate2-Hydroxychlorpropamide3,5-Diiodothyronine4-(7-Hydroxy-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)benzonitrileO-AdipoylcarnitineDobutamineLeucocrystal VioletTriazophosTridodecylamineL-3-Aminodihydro-2(3H)-furanoneClorgilineTert-butyl (2-{7-[(2S)-3-(4-cyanophenoxy)-2-hydroxypropyl]-9-oxa-3,7-diazabicyclo[3.3.1]non-3-yl}ethyl)carbamateReduced ketanserinGluconasturtiinDG(22:0/20:3(8Z,11Z,14Z)-2OH(5,6)/0:0)Histidylproline diketopiperazinegamma-CEHC glucuronideNon-sulfonylureaN-Nervonoyl GlycineDarexaban glucuronide5-(12-Heptadecenyl)-1,3-benzenediolTetracosahexaenoic acidTridecanoylglycine3'-Amino-3'-deoxythimidine glucuronide(E)-4,8-Dimethyl-1,3,7-nonatrieneDHAP(8:0)2-UndecenalCyclovariegatinGeranyl acetoacetate(Z)-4-Hydroxy-6-dodecenoic acid lactonePIP(16:2(9Z,12Z)/5-iso PGF2VI)NafenopinPC(16:1(9Z)/P-18:0)Diethyl tartrateStearaldehydetrans-JasmonePA(18:4(6Z,9Z,12Z,15Z)/24:1(15Z))DG(15:0/20:3(8Z,11Z,14Z)-2OH(5,6)/0:0)Sodium dihydrogen citrateFasciculol CN-Methyl-N-2-propynyl-1-indanamine, (S)-NialamideButenylcarnitinePsora-4ChondrocurineAzapropazonePG(18:1(11Z)/22:6(5Z,8E,10Z,13Z,15E,19Z)-2OH(7S, 17S))Homofureanol1,26-Hexacosanediol diferulateGlycerylmonooleate4-HydroxymethylpyrazoleMonoethylhexyl phthalic acidTriethanolamine7-MethylhypoxanthineCholesterol glucuronide24-Hydroxycholesterol6,7-Dihydro-4-(hydroxymethyl)-2-(p-hydroxyphenethyl)-7-methyl-5H-2-pyrindiniumRasagilineSyk Inhibitorgamma-Tocopherol3-(2-(Benzoxazol-2-yl)ethyl)-5-ethyl-6-methylpyridin-2(1H)-one2,2'-AnhydrocytidineCholesterolBenzoylcarnitine4-aminobenzoate3-MethyldioxyindoleValylmethionine4,8 Dimethylnonanoyl carnitineEntrectinibXanthoxylinMadlongiside CEpanololIodotyrosineSolanthreneLysoPA(22:5(4Z,7Z,10Z,13Z,16Z)/0:0)(2S,3R,4R,5S,6S)-2-(Hydroxymethyl)-6-phenylmethoxyoxane-3,4,5-triol4-(2,6,6-Trimethyl-1-cyclohexen-1-yl)-2-butanoneSphingosine 1-phosphateMG(0:0/19:0/0:0)AlkergotBehenic acidCholesterol sulfateN-[(3a,5b,7b)-7-hydroxy-24-oxo-3-(sulfooxy)cholan-24-yl]-GlycineDG(17:0/18:1(12Z)-O(9S,10R)/0:0)Magnesium silicate (Mg2SiO4)N-Methyl-N'-nitrosoguanidineEthosuximideDG(20:2(11Z,14Z)/24:1(15Z)/0:0)Pantetheine 4'-phosphateMomordolPonasteroside A2-Methyl-1-hydroxypropyl-ThPPSimazine1,2,5-Trimethyl-1H-pyrroleMargaroylglycineN-NitrosocimetidineTalampicillinQuinagolida(E)-1-O-Cinnamoyl-beta-D-glucoseArachidonoylcholine3-methoxy-4-hydroxy-5-all-trans-hexaprenylbenzoateParaxanthine2-Amino-1,3-propanediolAdrenic acidEnterolactone5-(4-Fluorophenyl)-3-(3-nitrophenyl)-1,2,4-oxadiazole1-(2,2-Difluoroethyl)pyrrolidine-3,4-dicarboxylic acidHalofenozide2-Amino-4-hydroxy-6-pteridinecarboxylic acid1-Cyano-2-hydroxy-3-butenePhensuximideTezacitabineThreonic acidN-[(1S)-1-(Ethoxycarbonyl)-3-phenylpropyl]-L-alanyl-L-proline 3-nitrooxypropyl ester(-)-NopolgeranateCis-stilbene oxideGlutamylaspartic acidHeptadecanoic acid5'-Carboxy-alpha-chromanolNorepinephrineDimethylglycineCorchorifatty acid FBenzenesulfonic acid, 2,2'-(1,2-ethenediyl)bis[5-isothiocyanato-Varanic acidPalmitoylglycine4-(4-Hydroxyphenyl)-2-butanone O-[2-galloyl-6-cinnamoylglucoside]Lumogallion6-Methyl-N-(2H-tetrazol-5-yl)pyridine-2-carboxamideBardoxoloneIndanidineLysoPE(0:0/22:1(13Z))16-Hydroxyhexadecanoic acidDG(21:0/PGF1alpha/0:0)7Z,10Z-Hexadecadienoic acid2-Cyclohexen-1-one, 3-(15-hydroxypentadecyl)-2,4,4-trimethyl-3,4-Methylenesebacic acidPhylloquinolCampesterol glucosideAminoparathionAS 1-53-Oxodecanoic acidPhenylbutazonePC(20:3(5Z,8Z,11Z)/P-18:1(11Z))N-Formyl-L-methionineBENZYDAMINEEdetate disodium24,24-DfhvTRIBUTYLAMINETrombodipineWithanolide A(2R)-1-(4-Nonylphenyl)propan-2-amineWithanolide BGlycerophosphocholine4-Hydroxy-3-methoxy-2,10-bisaboladien-9-oneN-ethyl-2-(4-fluorophenyl)-1,3-benzoxazol-5-amine2,3-Dihydro-5H-oxazolo(3,2-a)thieno(3,2-d)pyrimidin-5-one4-(4-Methylcyclohexyl)-4-oxobutanoic acidBuspirone N-oxidecephamycin CBullatanocinPI(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:4(6E,8Z,11Z,14Z)+=O(5))PA(21:0/PGF1alpha)Tetrahydrodeoxycortisol3-Methyl-alpha-ionyl acetateSM(d19:0/20:4(6E,8Z,11Z,14Z)+=O(5))Chlorohaloperidol2,4-dinitrophenyl-S-glutathioneSophoramineL-GlutamineCoprocholic acidCerivastatin lactone3,4-Methyleneazelaic acid2-((3-Aminopyridin-2-yl)methylene)hydrazinecarbothioamide9E-Heptadecenoic acidPeridininTromethamine5-Hexyl-2-methylpyridine5-(1-Propynyl)-5'-vinyl-2,2'-bithiophene2-HexenoylcarnitinePG(18:1(11Z)/LTE4)1-Methyl-4-(1-methyl-2-propenyl)-benzeneN-((1,2,3,5,6,7-Hexahydro-s-indacen-4-yl)carbamoyl)-4-(2-hydroxypropan-2-yl)furan-2-sulfonamideLIPEGFILGRASTIMAplavirocDG(15:0/20:4(5Z,8Z,11Z,14Z)/0:0)11-Hydroxyeicosatetraenoate glyceryl esterLyciumoside VIII(2xi,3xi,6E)-3,7-Dimethyl-6-octene-1,2,3,8-tetrolIle-Ile-Ala-Glu-LysPhosaloneAdosterol (incomplete stereochemistry)alpha-Santalyl acetate2,4-Dichlorophenyl-p-nitrophenyl ether17alpha,21-DihydroxypregnenoloneMethyl 6-O-galloyl-beta-D-glucopyranosidePA(18:3(6Z,9Z,12Z)/20:4(6E,8Z,11Z,14Z)+=O(5))MipafoxGlyceryl behenateDG(8:0/8:0/0:0)p-Cresol1-(2-(4-(3-Phenyl-2H-1-benzopyran-2-yl)phenoxy)ethyl)piperidineLysoPC(P-18:0/0:0)DihydralazineDi-deacetyl adrogolideMetaxalone2-Aminoethane-1,1,1-triol2',7'-Bis-(2-carboxyethyl)-6-carboxyfluoresceinHomodihydrojasmoneFlosequinanPregnanetriolMG(0:0/18:3(9Z,12Z,15Z)/0:0)1,2,4-Benzotriazin-3-amine 1-oxidealpha-IroneCalcium stearoyl 2-lactylateVinylacetylglycineTheasapogenol ACystemustine5-Hydroxytryptophol sulfate5-AminopentanamideChlorthal-dimethyl1H-Imidazole-1-ethanol, 2-nitro-alpha-((2,2,2-trifluoro-1-(trifluoromethyl)ethoxy)methyl)-(2-Acetyloxy-3-hydroxypropyl) (E)-octadec-9-enoateTridecanedioylcarnitine8-Hydroxyluteolin 8-glucoside 3'-sulfateAndrostenolSM(d18:1/16:1(9Z))BENAZOLINDG(18:0/20:4(5Z,8Z,11Z,14Z)/0:0)Lucyobroside8-nonenoylglycinetriazolobenzodiazepine1,2-Didecanoyl-sn-glycero-3-phosphocholinePhenolhypocrellin a2-Methylbutyroylcarnitine2-((3-Aminopropyl)amino)ethanethiolLabienoximeL-Monomenthyl glutarate6''-O-Malonyldaidzin(2R,3S,4R,5R,6S)-2-[[(1R,2R,4R,5R,6S,10R)-5-Hydroxy-2-(hydroxymethyl)-3,9-dioxatricyclo[4.4.0.02,4]dec-7-en-10-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triolOctanoylglucuronidePGF2a ethanolamideexo-Dehydrochalepin(E)-8-(2-(4-(Diphenylamino)benzylidene)hydrazinyl)-N-hydroxy-8-oxooctanamidealpha-MethylstyreneEzutromidPinotin A aglycone4-EthylphenolCyanoimipramine(2-Amino-2-oxoethyl)phosphinous acidN-Propionylprocainamide13,14-Dihydro PGF-1a1-Methyl-4-(1-methylpropyl)-benzeneAdenylylselenateSodium palmitateMiglitol8-Hydroxy-5,6-octadienoic acidAstilbinCalcium benzoateLysoPC(18:0/0:0)PS(18:1(11Z)/24:1(15Z))alpha-TerpineolDG(13:0/PGF2alpha/0:0)DictyosteliumPC(18:3(6Z,9Z,12Z)/P-18:1(11Z))Dioxinoacrimarine A(S)-Rutaretin9-Anthryldiazomethane2-Amino-3-methyl-1-butanol4-Pyridoxic acidPhosphoramide mustard20-HETE ethanolamide4-Trimethylaminobutyraldehyde1-acyl-PAFN-({(1s,2r)-2-[(S)-[(1r)-1-{[(Benzyloxy)carbonyl]amino}-2-Phenylethyl](Hydroxy)phosphoryl]cyclopentyl}carbonyl)-L-Tryptophan(Z)-7-[(1R,4S,5R,6R)-5-[(E,3S)-3-Hydroxyoct-1-enyl]-2,3-diazabicyclo[2.2.1]hept-2-en-6-yl]hept-5-enoic acidN-AcetyltryptamineStarch, pregelatinizedMesotrione2-Amino-3-(3-fluoro-4,5-dihydroxyphenyl)propanoic acid13-Heptadecyn-1-olTetradecanoylcarnitineFormetanatePC(22:2(13Z,16Z)/22:5(4Z,7Z,10Z,13Z,16Z))EncelinPolyporusterone ABiliverdin2-((2-((Dimethylamino)methyl)phenyl)thio)-5-iodophenylamine3-(2-Hydroxy-1-methyl-2-nitrosohydrazino)-N-methyl-1-propanaminePirprofen6-Bromo-L-tryptophanTG(18:2(9Z,12Z)/18:2(9Z,12Z)/18:2(9Z,12Z))Propyl 1-(propylthio)propyl disulfide1-dodecanoyl-glycero-3-phosphateUridinebeta-SinensalLysoPC(20:3(5Z,8Z,11Z)/0:0)Serylglycine3-hydroxydecanoyl carnitine2,3-EpoxymenaquinoneCervonoyl ethanolamidePropiconazoleImidazole-4-acetaldehydeAll-trans-13,14-dihydroretinolDapiprazolephosphonoacetaldehyde4-(3-Hydroxybutyl)-3,3,5-trimethylcyclohexanone7-Ethyl-5,6-dihydro-1,4-dimethylazulene8-(3,4-Dimethoxyphenyl)-7-methyl-1,3-dipropyl-1H-purine-2,6(3H,7H)-dione[5-[2,4-Bis((3S)-3-methylmorpholin-4-yl)pyrido[2,3-d]pyrimidin-7-yl]-2-methoxyphenyl]methanolVitamin E NicotinatePA(14:1(9Z)/22:6(5Z,8E,10Z,13Z,15E,19Z)-2OH(7S, 17S))Sorbitan palmitate6-Fluoropyridoxol2-Chloroquinolinen-octylimidazole1,2-DichloroethaneN-MethyltryptamineLysoPE(0:0/15:0)DesmethylxanthohumolIndanoneProgoitrinMG(0:0/16:1(9Z)/0:0)Bis(ethylphenyl)etherSM(d17:2(4E,8Z)/18:2(10E,12Z)+=O(9))Arginyl-glycyl-glutamyl-serineL-TyrosineObtustyreneHypotaurine27-Nor-5b-cholestane-3a,7a,12a,24,25-pentolThioproline2-O-Methyl-L-fucoseChembl42389262-Fluorobutyl 2-(8-azabicyclo[3.2.1]octan-1-yl)-5-iodobenzoateN-[2-(4-Prenyloxyphenyl)ethyl]tiglamideMonosodium glutamateMITOGUAZONECCR4 Antagonist2,2':6',2''-TerpyridineTaurocholic acidSorbitan laurateAjoene2-Isopropylmalic acid4-(Methylnitrosamino)-1-(3-pyridyl)-1-butanone1-(1-Propenylthio)propyl propyl disulfide2,5-Dimethoxy-4-ethylphenethylamineButofilololMyricetin 7-(6''-galloylglucoside)Imidafenacin(1S-Endo)-5-(4-Chloro-3-methylphenyl)-1-((4-methylphenyl)methyl)-N-(1,3,3-trimethylbicyclo(2.2.1)hept-2-yl)-1H-pyrazole-3-carboxamidePara-IodoamphetamineFagominek-252bN(6)-Methyllysine1,6,7-TrimethylnaphthaleneGibberellin A60N-Nervonoyl AsparagineMinaprineEthyl maltol(S)-[8]-Gingerol4-(Hydroxymethyl)benzenediazonium(1+)Oxacillin2,6-DiaminopurineAstromicin2-(a-Hydroxyethyl)thiamine diphosphate1-O-Hexadecyl-sn-glycero-3-phosphocholine4-[(4-Aminophenyl)(4-iminocyclohexa-2,5-dien-1-ylidene)methyl]-2-methylaniline5-Hydroxypentanoic acidJuzirineN-Acetylleucine(2S)-2-[[(2S)-2-[[(2S)-2-Amino-5-(diaminomethylideneamino)pentanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-5-(diaminomethylideneamino)pentanoic acid3-O-MethylglycyrolLysoPC(20:1(11Z)/0:0)2-Amino-9-(4-amino-2-oxopyrimidin-1-yl)-1H-purin-6-one1-docoseneN-EthylguanidineDirlotapideHexaethylene glycolN-ethylmaleimideDeoxycholic acid 3-glucuronideOsmundalactone2-((2-Methoxy-2-(3-(trifluoromethyl)phenyl)ethyl)amino)ethyl 4-(2-(2-(9H-fluoren-9-yl)acetamido)ethyl)benzoateBilirubinSM(d19:1/LTE4)1-(beta-D-Ribofuranosyl)-1,4-dihydronicotinamide10,20-Dihydroxyeicosanoic acidPA(18:4(6Z,9Z,12Z,15Z)/20:4(6E,8Z,11Z,14Z)+=O(5))DG(13:0/22:6(5Z,8E,10Z,13Z,15E,19Z)-2OH(7S, 17S)/0:0)2-[(4-{2-[(4-Cyclohexylbutyl)(cyclohexylcarbamoyl)amino]ethyl}phenyl)sulfanyl]-2-methylpropanoic acid5-FluorouridineBesipirdineHexadecasphingosine5-[4-Phenyl-5-(trifluoromethyl)-2-thienyl]-3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazoleITX-5061 free baseTriton X 100N-(4-Methoxybenzyl)-N'-(5-nitro-1,3-thiazol-2-YL)ureaHericenone ACer(d18:1/18:1(12Z)-2OH(9,10))PC(20:0/18:1(12Z)-O(9S,10R))2-HeptadecylfuranFlupentixol decanoateAtorvastatinTryptopholPyridostigmineN-(4-Nitroanilino)-N-(2,2,4,4-tetramethyl-3H-thiochromen-6-yl)methanethioamideL-Lysine1,2-Naphthalenedicarboxaldehyde1-Methyl-6-phenyl-1H-imidazo[4,5-b]pyridin-2-amineVecuroniumSyndesineCysteinyl-Proline(2R)-5-(Diaminomethylideneamino)-2-[[2,2-di(phenyl)acetyl]amino]-N-[(4-hydroxyphenyl)methyl]pentanamideN-Docosahexaenoyl ArgininedesmethylclomipramineThymol6-NitroquipazineDodecanoic acidDexelvucitabineLysoPE(P-18:0/0:0)Prenyl cis-caffeatePhenethyl rutinoside3-Hydroxynorvaline3-beta-Hydroxy-4-beta-methyl-5-alpha-cholest-7-ene-4-alpha-carboxylatePhosphatidylglycerolS-(Allylthio)-L-cysteineDiisopropyl methylphosphonate6-(4-(2,2-Di(4-Fluorophenyl)ethylamino)-1-piperidinyl)-N,N'-di-2-propenyl-1,3,5-triazine-2,4-diamine7,8-Dihydroneopterin8-Hydroxy-4(6)-lactarene-5,14-diolN-Acetyl-DL-phenylalanine beta-naphthyl esterMetoprolol3-Pentadecylphenol2,2'-Azobis(4-methoxy-2,4-dimethylvaleronitrile)Tomentosic acid5-Tricosyl-1,3-benzenediol(2'E,4'Z,7'Z,8E)-Colnelenic acid1-(1-Methylethenyl)-4-(1-methylethyl)benzene(3beta,17alpha,23S,24S)-17,23-Epoxy-3,24,29-trihydroxy-27-norlanost-8-en-15-oneFlunitrazepamXanthohumolPC(O-16:0/22:0)PC(16:1(9Z)/16:1(9Z))Bis(methylsulfonylmethyl) disulfideDelphinidin 3-glucosideLysoPI(20:4(5Z,8Z,11Z,14Z)/0:0)GardiquimodPC(20:0/18:3(6Z,9Z,12Z))1-EthylpiperidineN-Lactoyl ethanolamine phosphatePA(10:0/20:5(7Z,9Z,11E,13E,17Z)-3OH(5,6,15))4-Hydroxy-2-butenoic acid gamma-lactoneN-(4-Sulfophenyl)adenosineKynurenic acidMagnesium octanoate5-Fluoro-8-hydroxy-2-(dipropylamino)tetralinHydroxystilbamidinealpha-Ketoisovaleric acidPorphobilinogenHydroxyhomo SildenafilBenzo[c]phenanthridine3-GonalGlycolipidsEstazolamAlbiflorinHMBOA trihexose2-Amino-3,8-dimethyl-3H-imidazo[4,5-f]quinoxalineL-HistidinolGabapentinRicinoleic acidCelastrol(+)-2-Amino-7-phosphonoheptanoic acidN-DesmethylaminopyrineDiethylene glycol dimethacrylate5-Nonyltetrahydro-2-oxo-3-furancarboxylic acidNeuromedin N1-Acetoxy-2-hydroxy-16-heptadecyn-4-one2-trans,-6-trans-farnesyl monophosphateDihydrozeatinArtocarbeneN-Dealkylated derivativeDI(Hydroxyethyl)etherBerotralstatMelaninPinacidilN-(5-((4-(1H-Indol-3-yl)pyrimidin-2-yl)amino)-2-((2-(dimethylamino)ethyl)(methyl)amino)-4-methoxyphenyl)acrylamideSpermine dialdehydeTG(20:1(11Z)/20:4(5Z,8Z,11Z,14Z)/20:4(5Z,8Z,11Z,14Z))Adhumulinic acid1-Piperidinyloxy, 4-(((dodecyloxy)hydroxyphosphinyl)oxy)-2,2,6,6-tetramethyl-Bisindolylmaleimide iBarringtogenol CGlutathione monoisopropyl ester6-Ketomyristic acidMurametide(E)-4-[5-(4-Hydroxyphenoxy)-3-penten-1-ynyl]phenolLenticin(9S,10S)-9,10-dihydroxyoctadecanoateTG(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))2-Aminopropane-1,3-dithiolSepiapterin2-(5,8-Tetradecadienyl)cyclobutanoneLysoPC(18:2(9Z,12Z)/0:0)ApigeninidinGermacrenoneTemozolomidePsilocybineLinamarinAbietaneNPC3-O-beta-D-glucosyl-brassicasterol4-Bis(2-hydroxyethyl)amino-L-phenylalanineHeme AIslatravirSulcatoneNnal-N-oxideGalactosylsphingosineDe-O-methylsimmondsinLysoPA(8:0/0:0)N-DesmethyldoxepinN6,N6,N6-Trimethyl-L-lysineMethyl 1-(1-propenylthio)propyl disulfide6-Methyl-3,5-heptadien-2-oneDofequidarBrevifolincarboxylic acidEchothiophateInosine 2',3'-cyclic phosphate2-Chloro-1-(chloromethyl)ethyl carbamate2,6-Diamino-4-hydroxy-5-N-methylformamidopyrimidineApabetalone6-Phenyl-3-hexen-2-one3-Carboxy-1-hydroxypropylthiamine diphosphateButyl-(2,5-dimethyl-7-(2,4,6-trimethylphenyl)-7H-pyrrolo(2,3-d)pyrimidin-4-yl)ethylamineDibutyl disulfideGanoderiol CCyclohexanecarboxamide, N-(2-((ethylsulfonyl)amino)-5-(trifluoromethyl)-3-pyridinyl)-1,1-Diethyl-2-hydroxy-3-oxotriazaneArctic acid CUDP-alpha-D-xyloseProdanIndolophenanthridineDesmethylmianserinBopindolol(¡À)-(Z)-2-(5-Tetradecenyl)cyclobutanonexI-Dihydro-2-methyl-3(2H)-thiophenoneHydroxypropionylcarnitineHeptaethylene glycol3-Eicosyne(S)-Verimol FO-Demethyl apixabanCer(t18:0/5-iso PGF2VI)PS(20:3(5Z,8Z,11Z)/22:5(4Z,7Z,10Z,13Z,16Z))TalipexoleAntipyrineSphinganine 1-phosphateCinnamyl benzoateMethyl dihydrojasmonateLysoPI(18:0/0:0)PC(20:4(5Z,8Z,11Z,14Z)/16:0)Aurasperone DPC(18:0/22:6(5Z,7Z,10Z,13Z,16Z,19Z)-OH(4))MG(20:4(6Z,8E,10E,14Z)-2OH(5S,12R)/0:0/0:0)Desacetyl-nitazoxanideCarboxyfluorescein diacetateChavicol4-Fluorocyclohexane-1-carboxylic acidDerenofyllineN-(1-Deoxy-1-fructosyl)histidineDodecanedioic acid(R)-6-(3-Methylpiperazin-1-yl)nicotinonitrileAntazolineGingerol1-MethylnaphthaleneBis(5-hydroxynoracronycine)lamotrigine-2-N-glucuronideHexadecenalOrotic acidFlumazenil1H-Pyrrole-2,5-dione, 3-(1-methyl-1h-indol-3-yl)-4-(1-methyl-6-nitro-1h-indol-3-yl)-Isopropyl-beta-D-thiogalactopyranosideDHAP(18:0)3-(10-Heptadecenyl)phenolCer(d16:1/5-iso PGF2VI)N-Methylcalystegine C1Aristolochic acid BPS(18:0/PGF2alpha)(1R,4R,5S)-1-[(1S)-1-Hydroxy-2-methylpropyl]-4-propyl-6-oxa-2-azabicyclo[3.2.0]heptane-3,7-dionePE(22:0/P-18:0)N-(N-(3-Carboxyoxirane-2-carbonyl)leucyl)isoamylamine3-Methyl-3H-imidazo[4,5-f]quinoxalin-2-amineO-(17-Carboxyheptadecanoyl)carnitineLauroyl peroxidebeta-DamascenoneFormononetin 7-(2-p-hydroxybenzoylglucoside)Fluorapacin1-PyrimidinylpiperazineCalcium myristateLoxapineMethionine sulfoxide17a-EthynylestradiolDelphinidin 3-lathyroside 5-(6-acetylglucoside)Cyclohexyl MethylphosphonateProlyl-ThreonineDihomo-gamma-linolenic acid4-Hydroxy-3-(3-methyl-2-butenyl)acetophenoneMethylpyrogallol sulfate 3Azelaic acid3-Isobutyl-1-methylxanthineImidazolepropionic acidTributylphosphine5-Iodo-2'-deoxyuridine triphosphateFICAvocadene2-(2-Methoxyethoxy)ethanolxi-1-Ethoxy-1-butoxyethane3',4'-Dihydrodiol3-Fluoro-2-oxopropanoic acidNifuratelZANOTERONE1,2-DihydronaphthaleneEthyl (E)-3-diethoxyphosphanylsulfinyloxybut-2-enoateDG(13:0/20:3(5Z,8Z,11Z)-O(14R,15S)/0:0)DihydroethidiumN-Hydroxy phip3-Oxohexadecanoic acid(24E)-3alpha-Acetoxy-15alpha-hydroxy-23-oxo-7,9(11),24-lanostatrien-26-oic acidfalsePlasma metabolomic and lipidomic signatures characteristic of treatment non-response in rheumatoid arthritisObjectives: This study aimed to investigate plasma metabolomic and lipidomic profiles in rheumatoid arthritis (RA) to identify potential biomarkers for distinguishing treatment responses.Methods: Plasma samples were collected from 106 RA patients and 10 healthy controls, with 30 RA samples selected based on predefined inclusion criteria. Using liquid chromatography–mass spectrometry (LC-MS)-based untargeted metabolomics and lipidomics analysis, a total of 2,279 metabolites and 2,987 lipids were systematically identified.Results: Through rigorous statistical evaluation (variable importance in the projection (VIP) > 1 and false discovery rate (FDR) < 0.05), 22 metabolites and lipids were found to be positively associated with RA risk based on logistic regression analysis. These were further refined into 12 core features using least absolute shrinkage and selection operator (LASSO) regression. The 12 core features identified in the treatment non-response group included lipids Cer(d18:1/16:0), PS(16:0/20:0), and Palmitic acid; metabolites Mimosine and D-Xylose; drug-related metabolites Dihydralazine, Tridihexethyl, Acyclovir monophosphate, Indoline, and Melleolide; and pollution-related metabolites Norcotinine and 2-Chloro-1-(chloromethyl)ethyl carbamate. Machine learning models utilizing these features demonstrated robust discriminatory performance, achieving area under the curve (AUC) values exceeding 0.90, validating the efficacy of these biomarkers in differentiating treatment-responsive from non-responsive RA patients. Additionally, the identified features showed significant correlations with high disease activity, enabling differentiation across various stages of disease progression. Conclusion: The findings reveal significant metabolic and lipidomic alterations in RA and highlight the identified biomarkers as effective indicators of treatment responses and potential therapeutic targets.2026-06-022025-10-30MTBLS13238HMDB0249241HMDB0000207HMDB0060015HMDB0000827HMDB0031046HMDB0059853HMDB0000220HMDB0000673HMDB0000150HMDB0029047HMDB0000122HMDB0003533HMDB0011552HMDB0000321HMDB0247056HMDB0011553HMDB0244746HMDB0000549HMDB0000929HMDB0001231HMDB0002259HMDB0001429HMDB0242136HMDB0037839HMDB0060478HMDB0000062HMDB0254992HMDB0248624HMDB0246984HMDB0257251HMDB0012815HMDB0041535HMDB0033757HMDB0060868HMDB0249593HMDB0037338HMDB0000206HMDB0000300HMDB0256575HMDB0246643HMDB0030669HMDB0246693HMDB0000086HMDB0029052HMDB0250889HMDB0000128HMDB0258910HMDB0251422HMDB0000162HMDB0304061HMDB0014404HMDB0003072HMDB0005765HMDB0001016HMDB0243858HMDB0249913HMDB0029955HMDB0243655HMDB0038663HMDB0245966HMDB0000943HMDB0015547HMDB0039035HMDB0255868HMDB0033040HMDB0248104HMDB0000005HMDB0246945HMDB0032523HMDB0246204HMDB0029915HMDB0001167HMDB0006853HMDB0032330HMDB0032914HMDB0256252HMDB0303239HMDB0010724HMDB0032303HMDB0006478HMDB0255194HMDB0001470HMDB0014730HMDB0243970HMDB0001539HMDB0041797HMDB0014026HMDB0059607HMDB0035177HMDB0012245HMDB0241810HMDB0041541HMDB0244869HMDB0000656HMDB0028739HMDB0028829HMDB0040347HMDB0003484HMDB0244326HMDB0258978HMDB0000212HMDB0240650HMDB0029048HMDB0003572HMDB0029387HMDB0253472HMDB0029437HMDB0031346HMDB0257676HMDB0001448HMDB0000639HMDB0001494HMDB0001297HMDB0303430HMDB0031682HMDB0041802HMDB0000157HMDB0006240HMDB0253951HMDB0242543HMDB0000251HMDB0254505HMDB0032744HMDB0246780HMDB0013125HMDB0013593HMDB0255309HMDB0036394HMDB0014634HMDB0000098HMDB0034113HMDB0247423HMDB0303771HMDB0011727HMDB0244121HMDB0000510HMDB0000092HMDB0060902HMDB0304552HMDB0033822HMDB0000904HMDB0000172HMDB0001122HMDB0246022HMDB0000174HMDB0033789HMDB0251245HMDB0029968HMDB0000870HMDB0033112HMDB0012209HMDB0029752HMDB0257198HMDB0028891HMDB0259883HMDB0000058HMDB0000123HMDB0003045HMDB0000453HMDB0011659HMDB0253002HMDB0252055HMDB0249266HMDB0032332HMDB0248738HMDB0248115HMDB0257768HMDB0033100HMDB0247656HMDB0248809HMDB0248599HMDB0304884HMDB0001117HMDB0034301HMDB0244883HMDB0000168HMDB0010715HMDB0000205HMDB0001859HMDB0256147HMDB0304122HMDB0000462HMDB0248486HMDB0250094HMDB0255912HMDB0029579HMDB0251252HMDB0255240HMDB0060244HMDB0037759HMDB0001106HMDB0033952HMDB0000883HMDB0015344HMDB0000562HMDB0015188HMDB0256329HMDB0041188HMDB0303558HMDB0029275HMDB0029855HMDB0254209HMDB0243956HMDB0252977HMDB0303330HMDB0244895HMDB0256323HMDB0260123HMDB0001096HMDB0061711HMDB0001014HMDB0243493HMDB0244184HMDB0254603HMDB0245173HMDB0003361HMDB0251350HMDB0031532HMDB0001377HMDB0245860HMDB0245465HMDB0004101HMDB0031004HMDB0252002HMDB0240288HMDB0240280HMDB0250755HMDB0000670HMDB0251499HMDB0251202HMDB0244780HMDB0246008HMDB0060363HMDB0251565HMDB0259207HMDB0002207HMDB0301880HMDB0029643HMDB0006954HMDB0255015HMDB0246362HMDB0249982HMDB0000517HMDB0040241HMDB0254635HMDB0259734HMDB0041120HMDB0246305HMDB0015190HMDB0250350HMDB0245298HMDB0243986HMDB0245431HMDB0257746HMDB0014824HMDB0253134HMDB0256331HMDB0252413HMDB0244040HMDB0256313HMDB0303659HMDB0014672HMDB0060397HMDB0060449HMDB0256326HMDB0251204HMDB0252412HMDB0303548HMDB0246222HMDB0256332HMDB0015320HMDB0245048HMDB0246988HMDB0303432HMDB0039459HMDB0014118HMDB0255059HMDB0246244HMDB0255366HMDB0252943HMDB0243849HMDB0028695HMDB0007019HMDB0031396HMDB0294933HMDB0071165HMDB0253785HMDB0007016HMDB0000469HMDB0000828HMDB0041833HMDB0000691HMDB0001993HMDB0001419HMDB0028890HMDB0001488HMDB0002195HMDB0030151HMDB0034381HMDB0006227HMDB0301751HMDB0003822HMDB0001893HMDB0011662HMDB0033091HMDB0302040HMDB0250681HMDB0041023HMDB0006070HMDB0002639HMDB0000513HMDB0062452HMDB0001492HMDB0038485HMDB0245027HMDB0034430HMDB0007077HMDB0031050HMDB0034507HMDB0031031HMDB0029300HMDB0029645HMDB0032347HMDB0014607HMDB0035887HMDB0013622HMDB0039805HMDB0030014HMDB0040920HMDB0030956HMDB0036153HMDB0304225HMDB0029458HMDB0002823HMDB0031007HMDB0007038HMDB0000031HMDB0000077HMDB0244429HMDB0245542HMDB0037390HMDB0002231HMDB0041333HMDB0071246HMDB0062656HMDB0256758HMDB0035075HMDB0000383HMDB0000364HMDB0000801HMDB0092927HMDB0013897HMDB0035918HMDB0037209HMDB0000623HMDB0061649HMDB0031168HMDB0001457HMDB0032797HMDB0303984HMDB0029804HMDB0006893HMDB0035555HMDB0112082HMDB0006280HMDB0031910HMDB0004025HMDB0033604HMDB0012454HMDB0034555HMDB0006927HMDB0005972HMDB0030512HMDB0012555HMDB0294921HMDB0062387HMDB0039362HMDB0002409HMDB0038073HMDB0302124HMDB0038523HMDB0036941HMDB0092917HMDB0002226HMDB0011559HMDB0038524HMDB0005060HMDB0013657HMDB0255901HMDB0001449HMDB0258186HMDB0035152HMDB0032925HMDB0006246HMDB0038530HMDB0294813HMDB0007070HMDB0259260HMDB0032648HMDB0001903HMDB0112081HMDB0035584HMDB0035582HMDB0244153HMDB0007039HMDB0035950HMDB0002925HMDB0248242HMDB0033149HMDB0012138HMDB0256787HMDB0253423HMDB0015072HMDB0030007HMDB0029306HMDB0029582HMDB0303966HMDB0013688HMDB0035014HMDB0245089HMDB0000039HMDB0037787HMDB0004072HMDB0034107HMDB0304178HMDB0000957HMDB0013820HMDB0254637HMDB0030299HMDB0000873HMDB0004362HMDB0032012HMDB0035766HMDB0253742HMDB0060285HMDB0000240HMDB0061838HMDB0040345HMDB0012183HMDB0032489HMDB0001858HMDB0003315HMDB0000228HMDB0257033HMDB0032418HMDB0031152HMDB0304169HMDB0000466HMDB0303844HMDB0031162HMDB0013806H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