The raw MS data were converted to mzXML files using ProteoWizard MSConvert (v3.0.6428) before importing into freely available XCMS software (online 3.7.1). For peak picking, the following parameters were used: centWave, m/z = 10 ppm, peakwidth = c(10,60), prefilter = c(10,100). For peak grouping, bw = 5, mzwid = 0.025, minfrac = 0.5 were used. CAMERA (Collection of Algorithms of MEtabolite pRofile Annotation) was sued for annotation of isotopes and adducts. In the extracted ion features, only the variables having more than 50% of the nonzero measurement values in at least one group were kept. Compound identification of metabolites was performed by comparing of accuracy m/z value (<10 ppm), and MS/MS spectra with an in-house database established with available authentic standards. The missing data were filled by KNN (K-Nearest Neighbor) method, and features with RSD greater than 50% are filtered out.
"],"repository":["MetaboLights"],"study_status":["Public"],"ptm_modification":[""],"instrument_platform":["Liquid Chromatography MS - positive - reverse phase"],"chromatography_protocol":["Analysis was performed using an UHPLC (1290 Infinity LC, Agilent Technologies) coupled to a quadrupole time-of-flight (AB Sciex TripleTOF 6600, Shanghai). For HILIC separation, samples were analyzed using a 2.1 mm x 100 mm ACQUIY UPLC BEH Amide 1.7 µm column (waters, Ireland). In both ESI positive and negative modes, the mobile phase contained A = 25 mM ammonium acetate and 25 mM ammonium hydroxide in water and B = acetonitrile. The gradient was 95% B for 0.5 min and was linearly reduced to 65% in 6.5 min, and then was reduced to 40% in 1 min and kept for 1 min, and then increased to 95% in 0.1 min, with a 3 min re-equilibration period employed. The ESI source conditions were set as follows: Ion Source Gas1 (Gas1) as 60, Ion Source Gas2 (Gas2) as 60, curtain gas (CUR) as 30, source temperature as 600 °C, IonSpray Voltage Floating (ISVF) ± 5500 V.
"],"publication":["Untargeted metabolomics profiling of intestinal epithelium-specific PCK1 knockout mice and littermate controls."],"submitter_affiliation":["West china hospital, Sichuan, China"],"submitter_name":["Ming Chen"],"organism_part":["colon"],"technology_type":["mass spectrometry assay"],"disease":[""],"extraction_protocol":["Take 100 mg sample, add 1 mL cold 90% methanol. The lysate was homogenized by MP homogenizer (24 x 2, 6.0 m/s, 60 s, twice). The homogenate was sonicated at low temperature (30 min/once, twice), The mixture was centrifuged for 20 min (14,000 x g, 4 °C). The supernatant was dried in a vacuum centrifuge. For LC-MS analysis, the samples were re-dissolved in 100 μL acetonitrile/water (1:1, v/v) solvent.
"],"organism":["Mus musculus"],"full_dataset_link":["https://www.ebi.ac.uk/metabolights/MTBLS12440"],"author":["Huang Zhiyin. West China Hospital, Sichuan University, China. No. 37, GuoXue Xiang Chengdu 610041, China. huang-zhiyin@qq.com. Tel: + 86 15828184989.","Tang Chengwei. West China Hospital, Sichuan University, China. No. 37, GuoXue Xiang Chengdu 610041, China. shcqcdmed@163.com.","Chen Ming. West China Hospital, Sichuan University, Chengdu 610041, China. No. 37, GuoXue Xiang, Chengdu 610041, China. cmxhnk@163.com."],"data_transformation_protocol":["The raw MS data were converted to mzXML files using ProteoWizard MSConvert (v3.0.6428) before importing into freely available XCMS software (online 3.7.1). For peak picking, the following parameters were used: centWave, m/z = 10 ppm, peakwidth = c(10,60), prefilter = c(10,100). For peak grouping, bw = 5, mzwid = 0.025, minfrac = 0.5 were used. CAMERA (Collection of Algorithms of MEtabolite pRofile Annotation) was sued for annotation of isotopes and adducts. In the extracted ion features, only the variables having more than 50% of the nonzero measurement values in at least one group were kept. Compound identification of metabolites was performed by comparing of accuracy m/z value (<10 ppm), and MS/MS spectra with an in-house database established with available authentic standards. The missing data were filled by KNN (K-Nearest Neighbor) method, and features with RSD greater than 50% are filtered out.
"],"study_factor":["Pck1"],"submitter_email":["cmxhnk@163.com"],"sample_collection_protocol":["Collect colon tissues from Pck1 intestinal epithelial cell-specific knockout mice and their littermate control mice 7 days after DSS treatment. The tissues were placed into clean cryovials and immediately frozen in liquid nitrogen, followed by subsequent storage in a -80 °C freezer.
"],"omics_type":["Metabolomics"],"study_design":["pooled quality control sample","Phosphatidylethanolamine","Mus musculus","untargeted analysis","phosphatidylcholine","colon","untargeted metabolites","ulcerative colitis","PCK1","AB SCIEX TripleTOF 6600","Agilent 1290 Infinity UHPLC","experimental sample"],"curator_keywords":["pooled quality control sample","Phosphatidylethanolamine","Mus musculus","untargeted analysis","phosphatidylcholine","colon","untargeted metabolites","ulcerative colitis","PCK1","AB SCIEX TripleTOF 6600","Agilent 1290 Infinity UHPLC","experimental sample"],"mass_spectrometry_protocol":["In MS only acquisition, the instrument was set to acquire over the m/z range 60-1000 Da, and the accumulation time for TOF MS scan was set at 0.20 s/spectra. In auto MS/MS acquisition, the instrument was set to acquire over the m/z range 25-1000 Da, and the accumulation time for product ion scan was set at 0.05 s/spectra. The product ion scan is acquired using information dependent acquisition (IDA) with high sensitivity mode selected. The parameters were set as follows: the collision energy (CE) was fixed at 35 V with ± 15 eV; declustering potential (DP), 60 V (+) and -60 V (-); exclude isotopes within 4 Da, candidate ions to monitor per cycle: 10.
"],"metabolite_name":["Penconazole","Corticosterone","Grayanotoxin i","Ethalfluralin","Morphine n-oxide","Benz[c]acridine","D-mannosamine","3-pyridinecarboxaldehyde","3.beta.-tetrahydrocortisol, 3,21-diacetate","Ectoine","MG(18:2(9Z,12Z)/0:0/0:0)[rac]","Butamifos","Dibenz(a,h)acridine","Methapyrilene","Arg-Arg-Lys","Isorangiformic acid","Tacrine","Cyclovirobuxin d","Dihydrokaempferol","Sethoxydim","Bifenazate","(-)-quebrachitol","4,15,26-trihydroxy-1-oxa-4,9,15,20,26,31-hexazacyclotritriacontane-5,8,16,19,27,30-hexone","Methyl 5,6-diacetyloxy-10-hydroxy-2,4b,7,7,10a,12a-hexamethyl-12-methylidene-1,4,8-trioxo-4a,5,6,6a,9,10,10b,11-octahydronaphtho[1,2-h]isochromene-2-carboxylate","Glycolate","Butyl 4-hydroxybenzoate","9s-hydroxy-10e,12z,15z-octadecatrienoic acid","Asperuloside","Hypericin","Amphetamine","3-[5,7-dihydroxy-4-(4-hydroxyphenyl)-2-oxo-3,4-dihydrochromen-3-yl]-5,6,7,8-tetrahydroxy-4-(4-hydroxyphenyl)-3,4-dihydrochromen-2-one","Napelline","Benzamide, n-(3-bromophenyl)-3-[(hexahydro-1h-azepin-1-yl)sulfonyl]-","3-(1h-indol-3-ylmethyl)-6,18-dimethyl-12-(1-phenylethyl)-9,15-di(propan-2-yl)-1,4,7,10,13,16,19-heptazacyclotricosane-2,5,8,11,14,17,20-heptone","Ubiquinone 9","Pro-gln","L-carnosine","Desipramine","Crimidine","Pilocarpine","Tetramethrin","Mevalonic acid","2-epahpda [dmed-fahfa]","5-androstene-3.beta.,17.beta.-diol","Cinchonine","1,2-dioleoyl-sn-glycero-3-phosphoethanolamine-n,n-dimethyl","2-((4r)-4-((3r,5s,7s,9s,10s,13r,14s,17r)-3,7-dihydroxy-10,13-dimethylhexadecahydro-1h-cyclopenta[a]phenanthren-17-yl)-2,2-dimethylpentanamido)ethane-1-sulfonic acid","Salinomycin, sodium","Soyasapogenol e base + o-hex-hexa","Laminaritetraose","N-lauroyl-d-erythro-sphinganine","Ranaconitine","4-quinazolinamine, n-(1-cyclohexyl-4-piperidinyl)-2-[hexahydro-4-(1-methylethyl)-1h-1,4-diazepin-1-yl]-6-methoxy-7-[3-(1-piperidinyl)propoxy]-","Asn-His-Lys","Aflatoxin g2","Cyazofamid","Pantothenic acid","Moxonidine","2''-galloylhyperin","Valinomycin","Vindoline","Yohimbine","Ritonavir","N-(dodecanoyl)-1-.beta.-glucosyl-sphing-4-enine","Salicylaldehyde","Liliaxanthin","Ursocholic acid","P-tert-octylphenol heptaglycol ether","Xanthurenic acid","Cevadine","N-phenyl-2-naphthylamine","4-hydroxytriamterene","Bromopropylate","Metaproterenol","Pirimicarb-desamido","Acetylfentanyl","Metalaxyl","Azelastine","Sulcotrione","Benzenemethanol, .alpha.-[(1r)-1-(methylamino)butyl]-, (.alpha.s)-rel-","Aflatoxin b2","5.alpha.-androstan-3.alpha.,17.beta.-diol-o-3-.beta.-glucuronic acid","Aflatoxin b1","Monoisobutyl phthalate","1,2-dioleoyl-sn-glycero-3-phosphatidylcholine","3-quinolinecarboxamide, 1,4-dihydro-6-(1-methylethyl)-4-oxo-1-pentyl-n-tricyclo[3.3.1.1(3,7)]dec-1-yl-","15s-hydroxy-5z,8z,11z,13e-eicosatetraene-(2-biotinyl)hydrazide","Crustecdysone","Rutinose","D-lactosyl-.beta.1-1'-d-erythro-sphingosine","Lys-His-Arg","Pyridine","Trans-traumatic acid","Acetophenazine","Trans-3,5-dimethoxy-4-hydroxycinnamaldehyde","1,2-dilinoleoylglycerol","Phe-gly","Val-Trp-Arg","Dimethylallyl pyrophosphate","Fusidic acid","1-octadecyl-2-acetyl-sn-glycero-3-phosphocholine","Zaprinast","Dextromethorphan","1-hexadecyl-2-(5z,8z,11z,14z-eicosatetraenoyl)-sn-glycero-3-phosphocholine","D-ornithine","4h-1-benzopyran-4-one, 2-(4-morpholinyl)-8-phenyl-","Promethazine sulfoxide","hydrocortisone 21-acetate","Fumonisin b2","Resibufogenin","Icaridin","Pseudopelletierine","Sulfasalazine","Leupeptin","21-deacetoxy-11-oxodeflazacort-3,20-hydrazinecarboxamide","Epoxiconazole","Sulfadoxin","Estrone sulfate","Adenosine","Palmitoyl 3-carbacyclic phosphatidic acid","Prostaglandin B1","Cyasterone","3beta-hydroxydeoxodihydrodeoxygedunin","Campesterol","1,10a-dihydroxy-4,4,7,11b-tetramethyl-1,2,3,4a,5,6,6a,7,11,11a-decahydronaphtho[2,1-f][1]benzofuran-9-one","Dibucaine","G2f","Dauricine","4-hydroxyphenylmaraviroc","Eflornithine","Isopimpinellin","17-keto-4(z),7(z),10(z),13(z),15(e),19(z)-docosahexaenoic acid","Violacein","Isoproterenol","6-hydroxymelatonin","Oleanolic acid","3-hydroxy-2',4',5'-trimethoxyflavone","4-hydroxyquinoline","4-piperidinecarboxamide","S-lactoylglutathione","Sphingosine","Lovatatin","Minocycline","Chlortoluron","3-amino-1-propanesulfonic acid","Calcimycin","Methyl 7-methoxycoumarin-4-acetate","2-amino-2-methyl-1,3-propanediol","Carbendazim","Pyriproxyfen","N-acetyl-d-galactosamine","1h-indazole-4-carboxamide, n- [(1,2-dihydro-6-methyl-2-oxo-4-propyl-3-pyridinyl)methyl]- 1-(1-methylethyl)-6-[6-[4-(1-methylethyl)-1-piperazinyl]-3- pyridinyl]-","1alpa,3beta-diacetoxy-22-hopanol","2-chloro-2',6'-diethylacetanilide","Psychosine","Lysine","(4r)-4-((3s,5r,9s,10s,13r,14s,17r)-3-hydroxy-10,13-dimethyl-12-oxohexadecahydro-1h-cyclopenta[a]phenanthren-17-yl)pentanoic acid","Linoleoylcarnitine","(3s,6r,9s,12r,15s,18r)-3-butan-2-yl-4,10,16-trimethyl-6,9,12,15,18-penta(propan-2-yl)-1,7,13-trioxa-4,10,16-triazacyclooctadecane-2,5,8,11,14,17-hexone","Khasianine","Phenylacetaldehyde","1,2-dilauroyl-sn-glycero-3-phospho-sn-glycerol","Quinoline-2,4-diol","Disulfoton sulfoxide","Tabernamine","Trihydroxycholestanoic acid","Chlorimuron ethyl","Sterigmatocystin","Chloramphenicol succinate","(.+/-.)-talinolol","Neoline/bullatine b","Prednisolone","Tokuthion","Flunisolide","Iprovalicarb","1-methyladenosine","Dodecanoic acid, 12-[[(cyclohexylamino)carbonyl]amino]-","Prolintane","Perseitol",".beta.-ecdysone","All-trans-4-hydroxyretinoic acid","Sulfamethizole","D-glucosamine 6-phosphate","Oleoyl ethylamide","[(2s,3r,4r,5s,6s)-2-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxochromen-3-yl]oxy-3,5-dihydroxy-6-methyloxan-4-yl] 3,4,5-trihydroxybenzoate","4-aminosalicylic acid","Artemisetin","Desmedipham","N-acetylglutamine","Trans-4-(aminomethyl)cyclohexanecarboxylic acid","Veratramine","Cyclo[3-(2-naphthalenyl)-l-alanylglycyl-d-tyrosyl-l-arginyl-l-arginyl]","Deoxymyxol 2'-(2,4-di-o-methyl-fucoside)","Lys-Cys","Dasatinib n-oxide","2-hydroxybenzyl alcohol","1-(1z-octadecenyl)-sn-glycero-3-phosphocholine","Fargesin","3'-.alpha.-sialyl-n-acetyllactosamine","6-tert-butyl-3-methylsulfanyl-2h-1,2,4-triazin-5-one","Bromophos-ethyl","Homoharringtonine","4-hydroxyphenylethanol","Adrenosterone","2-(5-oxovaleryl)phosphatidylcholine","Zaleplon","O-acetyl-l-serine","Clethodim","1-hexadecyl-2-(8z,11z,14z-eicosatrienoyl)-sn-glycero-3-phosphocholine","[1,3-dihydroxy-1-(7-methoxy-2-oxochromen-6-yl)-3-methylbutan-2-yl] (e)-2-methylbut-2-enoate","1,2-bis(o-decanoyl)-sn-glyceryl-3-phosphorylcholine",".alpha.-chaconine","Methyl nonyl ketone","Transfluthrin","Dioctylamine","Mangiferin","Cyclocrassostreaxanthin a","Triacylglycerol 17:1-18:1-18:1","Cafestol","(e,2s,3r,4r,5s)-4-acetyloxy-2-amino-3,5,14-trihydroxyicos-6-enoic acid","Dl-2,4-diaminobutyric acid","Testosterone enanthate","O,p'-dicofol","Tris(2-ethylhexl)phosphate","1,2-dieicosenoyl-sn-glycero-3-phosphocholine","Lithocholylglycine","Hydrocortisone 21-hemisuccinate","Physostigmine","Stercobilin","7-methylguanine","13-keto-9z,11e-octadecadienoic acid","Cyclic gmp","Bilobol","Hexanamide, n-[(1s,2r)-2-hydroxy-1-(hydroxymethyl)heptadecyl]-6-[(7-nitro-2,1,3-benzoxadiazol-4-yl)amino]-","Clomeprop","Trichlamide","Trans-cinnamic acid","7-diethylamino-3-formylcoumarin","(3r,5r,7r,8s,9s,10s,12s,13r,14s,17r)-12-hydroxy-10,13-dimethyl-17-((r)-5-(oxetan-3-yl)pentan-2-yl)hexadecahydro-1h-cyclopenta[a]phenanthrene-3,7-diyl diacetate","Fenoxanil","Hydrocinnamic acid","Trospium","2,4-diaminotoluene","Trans-androsterone","Megestrol acetate","Nelfinavir","Cyclopamine","Azaconazole","Prostaglandin f3.alpha.","2,4-thiazolidinedione, 5-[(5-bromo-2-methoxyphenyl)methylene]-3-[(4-methylphenyl)methyl]-, (5z)-","2'-deoxyguanosine 5'-monophosphate","4-(2-hydroxyethyl)piperazine-1-ethanesulfonic acid","Thifensulfuron-methyl","Picropodophyllin","Pyridoxal","Isoliquiritigenin","Fenpiclonil","Falcarindiol","Licochalcone a","Mebeverine","Secbumeton","7-amino-4-methyl-2h-1-benzopyran-2-one arachidonoyl amide","Sipeimone","Rutarensin","Tribenuron-methyl","Isobavachalcone","Forskolin","L-aspartic acid","Luteolin 7-glucoside","Boscalid","Nitrocefin","Solanidine base + o-hex-dhex","1-(2,3-dibenzimidazol-2-ylpropyl)-2-methoxybenzene","Loperamide","4-hydroxy-l-isoleucine","Thioetheramide-PC","6-chloro-2-(trifluoromethyl)quinolin-4-ol","Bromobutide","Calcitriol","Aspidocarpine","17alpha-hydroxyprogesterone",".alpha.-ergocryptine","Quinaldic acid","Paclitaxel","Dinor-12-oxophytodienoic acid","N-butylamine","Adenosine 3'-phosphate 5'-phosphosulfate","4,4'-dichlorobenzophenone","1-palmitoyl-2-linoleoyl-rac-glycerol","Enniatin b","1-stearoyl-2-docosahexaenoyl-sn-glycerol","Neohesperidose","Testosterone","Pantothenate","Pro-leu","Morpholine","Vernolate","Mevastatin","Harringtonine","Dofetilide","Hydroxyitraconazole","Methionine conjugated chenodeoxycholic acid","Trifloxystrobin","Pro-phe","4-({5-[5-hydroxy-3-({[(2z)-2-methylbut-2-enoyl]oxy}methyl)pentyl]-8a-(hydroxymethyl)-5,6-dimethyl-3,4,4a,5,6,7,8,8a-octahydronaphthalen-1-yl}methoxy)-4-oxobutanoic acid","Pepstatin a","Cuminaldehyde","Chlorprothixene","Azithromycin","2-hydroxyestradiol","(s)-n-[[3-[3-fluoro-4-(4-morpholinyl)phenyl]-2-oxo-5-oxazolidinyl]methyl]phthalimide","Creatine","Chlorzoxazone","Diaveridine","Oxandrolone","Iso-olomoucine","Pro-Ala","17,20-dimethylprostaglandin f1.alpha.","L-homocysteic acid","2-hydroxyatrazine","Dihydrorhodamine 123","Mafenide","Lys-Ile-Lys","1-oleoyl-sn-glycero-3-phosphoethanolamine","Asp-Arg","3,4-dimethylbenzaldehyde","Hirsuteine","Euparin","Bisphenol a diglycidyl ether","Adipic acid","Ionomycin","5-methoxypsoralen","Pimonidazole","1,4-d-xylobiose","Fenclorim","Triptolide","Myxovirescin c","Heptenophos","N-acetyl-.beta.-d-mannosamine","1-o-hexadecyl-2-o-methyl-sn-glyceryl-3-phosphorylcholine","Zerumbone","Myxovirescin a","Cyclosporin d","2s-amino-4e-pentadecene-1,3r-diol",".beta.-d-glucopyranosiduronic acid, 5-[3-(1-naphthalenylcarbonyl)-1h-indol-1-yl]pentyl","Thiouric acid","Pseurotin a","2-ketohexanoic acid","Ochratoxin a","Niflumic acid","Fludarabine","2-hydroxymethylloratadine","Schweinfurthin e","Pyridaben","DL-Glutamic acid","N-acetyl-d-lactosamine","(+)-chlorpheniramine","Demethylnobiletin","3,4-dihydroxybenzoic acid","Methoxyneurosporene","4-cholestenone","D-glucosaminic acid","Stearamide","Endrin aldehyde",".beta.-estradiol 17-valerate","Tyramine","4-acetamidobutanoate","Pyraflufen-ethyl","Deoxyadenosine","1-stearoyl-2-arachidonyl-sn-glycero-3-phosphocholine","Prazosin","Ser-Ala","Purmorphamine","Tolclofos-methyl","Betulinic acid methyl ester","Oleana-1,9(11)-dien-28-amide, 2-cyano-3,12-dioxo-n-(2,2,2-trifluoroethyl)-","Methyclothiazide","Podototarin","3-methyladenine","Ergovaline","4,6-diamino-5-formamidopyrimidine","Cholesta-4,6-dien-3-one","2-alahba [dmed-fahfa]","(2r,3r,4r,6ar,6bs,8as,11r,12r,12as,14br)-2,3,12-trihydroxy-4,6a,6b,11,12,14b-hexamethyl-8a-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxycarbonyl-1,2,3,4a,5,6,7,8,9,10,11,12a,14,14a-tetradecahydropicene-4-carboxylic acid","Tetrahydro-l-biopterin","Chrysanthemic acid, ethyl ester","Echinocystic acid","1-pentadecanoyl-sn-glycero-3-phosphocholine","Bovoside a","Diethylcarbamazine","Teniposide","2,4,6-tri-tert-butylaniline","Salicylic acid","N-arachidonylmaleimide","3-methylhippuric acid","Linoelaidic acid","Bufotenine","Amsacrine","Marmesin","P-tert-octylphenol decaglycol ether","3-hydroxykynurenine","3.alpha.-hydroxy-7-oxo-5.beta.-cholanic acid","Ketamine","Nobiletin","Choline","Tritosulfuron","Methanone, 1,1'-[2-(phenylamino)-1,4-phenylene]bis[1-[4-(1-pyrrolidinyl)-1-piperidinyl]-","Monocrotaline","1h-1,2,4-triazol-3-amine","Tabersonine","1-palmitoyl-2-oleoyl-sn-glycero-3-phosphoethanolamine","Homatropine","Oxcarbazepine","Quercetin 3-o-malonylglucoside","Ethyl 3-indoleacetate","Aniline","Condelphine","Cis-4,10,13,16-docosatetraenoic acid methyl ester","1,2-diheptadecanoyl-sn-glycero-3-phosphocholine","4-chloro-3-sulfamoylbenzoic acid","(2e,4e,12z)-n-(2-methylpropyl)octadeca-2,4,12-trienamide","Tanshinone iia","Betulin","Menadione","Haloxyfop","Acacetin","Cytidine 2',3'-cyclic phosphate","Glu-Ser","1-stearoyl-2-hydroxy-sn-glycero-3-phosphocholine","Butocarboxim","Pro-Asp","Visnagin","4-benzofuranethanamine, 2,3-dihydro-.alpha.-methyl-","[(2r)-2-[(e,2s,4r)-4,6-dimethyloct-6-en-2-yl]-6-oxo-2,3-dihydropyran-3-yl] (2e,4e,6s)-8-hydroxy-6-(hydroxymethyl)-4-methylocta-2,4-dienoate","7-acetyllycopsamine","Heptadecasphinganine","Desferrioxamine","4'-o-.beta.-d-glucosyl-5-o-methylvisamminol","Phenol, 4-[2-(3,5-diamino-1h-pyrazol-4-yl)diazenyl]-","Gemcitabine","15-deoxy-delta-12,14-pgj2","Oleana-1,9(11)-dien-28-oic acid, 2-cyano-3,12-dioxo-, methyl ester","Leucine","3-hydroxyoleylcarnitine","1,5-diphenylcarbohydrazide","2-epahba [dmed-fahfa]","Curcumin","1,4-cyclohexanedione","Piperlongumine","Dihydrotanshinone","Monoelaidin","Di(2-nonyl) phthalate","N-octanoylsphingosine-1-phosphate","Indolmycin","Arecaidine","Dethiobiotin","Indole-3-carboxylic acid","Lactose","Androstane-3,17-diol, (3.beta.,5.alpha.,17.beta.)-","Linolenic acid","Mandelonitrile","N-acetyl-l-phenylalanine","(2r)-7-hydroxy-8-(2-hydroxyethyl)-5-methoxy-2-methyl-2,3-dihydrochromen-4-one","L-abrine","Linoleoyl coenzyme a","Latanoprost ethylamide","Indican","Lauramidopropylbetaine","Ethylenediaminetetraacetic acid","Mebendazole","Verbenalin","Stearoylcarnitine","Helicin","Surugamidea","2-arahpa [dmed-fahfa]","1,4-bis(aminomethyl)cyclohexane","Prostaglandin i2","Lenalidomide","Vasicinone","Paraoxon","Biotin","Dichlorofluorescein","DL-tryptophan","Syringic acid","Ampicillin","Neomycin","Myclobutanil","Fumagillin","Ingenol","Lamotrigine","Destruxin a","Larixyl acetate","Clodinafop-propargyl","L-methionine","3,5-dihydroxy-4-[3,4,5-trihydroxy-6-[[4-(2-hydroxypropan-2-yl)cyclohexene-1-carbonyl]oxymethyl]oxan-2-yl]oxybenzoic acid","Xanthommatin","Ginkgolide b","1-o-hexadecyl-2-o-acetyl-sn-glyceryl-3-phosphoryl(n,n,n-trimethyl)hexanolamine","Dicyclomine","Isoalantolactone","Melamine","N-octanoyl-l-homoserine lactone","Anastrozole","Propanoic acid, 2-[[4-[2-[[(cyclohexylamino)carbonyl](4-cyclohexylbutyl)amino]ethyl]phenyl]thio]-2-methyl-","Tetrahydrogambogic acid","(-)-cotinine","Iminostilbene","N-Tetracosanoyl-4-sphingenyl-1-O-phosphorylcholine","(3r,7r,8r,9s,10s,12s,13r,14s,17r)-17-((2r,5r)-5,7-dihydroxyheptan-2-yl)-10,13-dimethylhexadecahydro-1h-cyclopenta[a]phenanthrene-3,7,12-triol","Ifenprodil","L-homoarginine","12s-hydroxy-5z,8e,10e-heptadecatrienoic acid","Madecassic acid","N-demethylmifepristone","Bis(2,2,6,6-tetramethyl-4-piperidyl) sebacate","Ciprofloxacin","Butorphanol","Lys-Ile-Arg","Desacetyl (7)khivorinic acid, methyl ester","Cis-13-docosenoic acid","Protopine","[(2s,3r,4r,5r,6s)-2-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxochromen-3-yl]oxy-4,5-dihydroxy-6-methyloxan-3-yl] 3,4,5-trihydroxybenzoate","Prostaglandin d1","Glycerol tricaprylate","Bromadiolone","3-deoxo-3beta-acetoxydeoxydihydrogedunin","3-[(z)-heptadec-10-enyl]benzene-1,2-diol","1,2-ditetradecanoyl-sn-glycero-3-phosphocholine","Buspirone","Edpetinosine","Imatinib","Ifosfamide","N-3-oxohexadec-11z-enoyl-l-homoserine lactone","Cephalochromin","2-lahaa [dmed-fahfa]","Isorhynchophylline","Pertusaric acid","N-[2-[[4-(diethylamino)butyl]amino]-6-(3,5-dimethoxyphenyl)pyrido[2,3-d]pyrimidin-7-yl]-n'-(1,1-dimethylethyl)urea","Cis-11-eicosenoic acid","Lonafarnib","8'-apo-.beta.-carotenal, all-trans-","Fenuron","Profenofos","4-chloro-o-toluidine","Arg-Phe-Lys","Pindolol","1-oleoyl-2-myristoyl-sn-glycero-3-phosphocholine","1,2,6,6,10,17,20-heptamethyl-12-oxo-17-[(2-piperidylethyl)oxycarbonyl]pentacyclo[12.8.0.0<2,11>.0<5,10>.0<15,20>]docos-13-en-7-yl acetate","Phe-Phe-Arg","Dulcitol","Isoxanthopterin","Reserpic acid","Puromycin","N-arachidonoyl-l-alanine","Beclomethasone","D-xylose","Palmatine","15-ketoprostaglandin f2.alpha.","Obacunone","Kresoxim-methyl","Leu-Phe-Lys","5,7,3',4'-tetrahydroxy-6,8-dimethoxyflavone","Spiramycin ii","Acarbose",".gamma.-aminobutyric acid","Thiofluor 623","Glycochenodeoxycholate","N-methylcoclaurine","Fenazaflor","(5r)-5-hydroxy-1-(4-hydroxy-3-methoxyphenyl)tetradecan-3-one","Huperzine a","N-(1,1-dimethyl-2-hydroxyethyl)-3-amino-2-hydroxypropanesulfonic acid","5-trans-prostaglandin d2","TG 16:0-19:2-16:0-d5","Allose","Vamidothion","Cycloheximide","Surfactin","Acetylcarnitine","Argininosuccinic acid","Venturicidin a","Midazolam","(-)-menthone","Malaoxon","Dl-homocysteine","Spirostane -2h, + 1o, o-pen-dhex","1,2-bis(heptanoylthio) glycerophosphocholine","3-hydroxystanozolol glucuronide","N-glycolylneuraminic acid","1-(1z-octadecenyl)-2-(9z-octadecenoyl)-sn-glycero-3-phosphocholine","Diphenylmethylphosphine","Leu-Ala","Fingolimod","Spectinomycin","Dienestrol","Deltaline","Albendazole sulfone","1-(1z-hexadecenyl)-sn-glycero-3-phosphocholine","2-propenamide, 3-[3-[(2-benzothiazolylthio)methyl]-4-hydroxy-5-methoxyphenyl]-2-cyano-","Sulfanitran","3-methyl-2-buten-1-ol","Polygodial","Trimyristin","Fluoranthene","Acadesine (drug)","Trihydroxycoprostane","Glutamic acid","Valsartan","Hecogenin acetate","Nefazodone","(3r,5r,7r,9s,10s,12s,13r,14s,17r)-17-((2r)-6,7-dihydroxy-6-methylheptan-2-yl)-10,13-dimethylhexadecahydro-1h-cyclopenta[a]phenanthrene-3,7,12-triol","Oxaprozin","Acetylsalicylic acid","18.beta.-glycyrrhetic acid methyl ester","Prosapogenin a","Irisflorentin","Crufomate","(2e,6e)-3,7,11,15,19,23,27,31,35-nonamethylhexatriaconta-2,6,34-triene-1,10,11,15,19,23,27,31-octol","1-monolinoleoyl-rac-glycerol","22-hydoxy-2-hopen-1-one","Seneciphyllin","5-methyl-5,6-dihydrouracil","Gliotoxin","Ipecoside","Prosulfocarb","Dexpanthenol",".alpha.-ionone","Boldenone cypionate","Alanine conjugated chenodeoxycholic acid","Tetrahydroalstonine","Pimelic acid","Veratroylzygadenine","Diacetyl","1,2-benzenedicarboxylic acid","Cyproheptadine","Oxethazaine",".gamma.-undecalactone","Gibberellic acid","Arachidonoyl ethanolamide","Capsaicin","Linoleoyl ethanolamide","(.+/-.)-n-ethyl-1-phenyl-2-butylamine","Orcinol .beta.-d-glucoside","Fenazaquin","Betaine","5-(2-hydroxyethyl)-4-methylthiazole","D-erythro-imidazolylglycerol phosphate","Phenacetin","D-myo-inositol-1,4,5-triphosphate","Gomisin c","1,6-dibromo-1,6-dideoxy-d-mannitol","N,n-diethyl-3,4-dimethoxybenzamide","Kanamycin a",".alpha.-galactosyl-n-stearoylsphingosine","Enrofloxacin","Cytidine","Ala-Ala-Arg","Nonanamide, n-[(4-hydroxy-2-iodo-5-methoxyphenyl)methyl]-8-methyl-","Thifluzamide","Homostachydrine","Lpc 18:2","Morphine-3-glucuronide","Simazine hydroxy","Prostaglandin j2","Alfentanyl","2-linoleoylglycerol","4-methylbenzyl alcohol","Hydrocortisone","Econazole","Fluopyram","Genipin","Piperonyl sulfoxide","Cloransulam-methyl","Palmitamide","Hydrocotarnine","Val-Leu","Trioxsalen","Glutathione, oxidized","Limaprost","Emericellamide a","Sphingomyelin (d18:1/18:0)","3,5-dibromo-l-tyrosine","Quinate","19-hydroxyandrost-4-ene-3,17-dione","Benzo[f]quinoxaline-7-sulfonamide, 1,2,3,4-tetrahydro-6-nitro-2,3-dioxo-","Ethisterone","7,8-dihydrobiopterin","Spiroxamine","Ephedrine","1-(1,2-dihexanoylphosphatidyl)inositol-4,5-bisphosphate","Chlorfenvinphos","Gamma-l-glutamyl-l-glutamic acid","Blood group a trisaccharide","Atropine","4-[5-[[4-[5-[acetyl(hydroxy)amino]pentylamino]-4-oxobutanoyl]-hydroxyamino]pentylamino]-4-oxobutanoic acid","4-hydroxydebrisoquine","Cytidine 5'-diphosphocholine","1,4-dihydroxy-2-naphthoic acid","6-ketoprostaglandin f1.alpha.","Cepharanthine","2-((4r)-n-benzyl-4-((3r,5s,7s,9s,10s,13r,14s,17r)-3,7-dihydroxy-10,13-dimethylhexadecahydro-1h-cyclopenta[a]phenanthren-17-yl)pentanamido)ethane-1-sulfonic acid","1-stearoyl-rac-glycerol","Asn-Leu-Arg","Gemfibrozil","2'-deoxycytidine","Rosmarinic acid","1,2-dihexadecanoyl-sn-glycerol","12-hydroxydodecanoic acid","1,2-dimyristoyl-sn-glycero-3-phospho-l-serine",".alpha.-tocopherol nicotinate","4-chlorobenzene-1,2-diamine","Delsoline","Ethanol, 2-[[3-(2,3-dichlorophenoxy)propyl]amino]-","L-citrulline","Daunorubicin","Dfplnnh","Methyl deoxycholate","Quinolin-2-ol","3,5-dihydroxydecanoic acid","Coenzyme q2","4-ohe2-1-n3ade","2-alahhda [dmed-fahfa]","Retigabine","5-aminosalicylic acid","1-(4-piperidinyl)-1,3-dihydro-2h-indol-2-one","D-leucinamide, n-[(phenylmethoxy)carbonyl]-l-leucyl-n-[(1s)-1-formyl-3-methylbutyl]-","Sanguinarine","Benzalkonium chloride (c12)","2-adamantanone","Flutamide","2,4-dihydroxybenzophenone","Val-Asp-Arg","(+)-catechin","Hexylamine","Neocoprogen i","L-leucyl-l-proline","Taurocholate","4,4'-methylenebis(2,6-di-tert-butylphenol)","Myristamine oxide","Tris(2-chloropropyl) phosphate","7,8-dehydropregnenolone","(2s,3r,5r,10r,13r,14s,17s)-2,3,14-trihydroxy-10,13-dimethyl-17-[(2r,3r,5r)-2,3,6-trihydroxy-5,6-dimethylheptan-2-yl]-2,3,4,5,9,11,12,15,16,17-decahydro-1h-cyclopenta[a]phenanthren-6-one","Erythrodiol","2-edahma [dmed-fahfa]","Harmine","Chlorpyrifos-oxon","Xanthotoxol","Fluvastatin","Fenpropimorph","Evoxine","Busulfan","Harpagoside","Gentamicin c1","Benzyl nicotinate","2-[[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 acid","Levamisole","Fluazifop-butyl","Methabenzthiazuron","Quinine","3-bromo-5-phenylsalicylic acid","(2s,3r,4as,12br)-2,3,4a,8-tetrahydroxy-12b-(5-hydroxy-6-methyloxan-2-yl)oxy-3-methyl-2,4-dihydrobenzo[a]anthracene-1,7,12-trione","S-(2,3,4-trihydroxybutyl)mercapturic acid","Benzenesulfonamide, n,n'-(dithiodi-2,1-ethanediyl)bis[2,5-dichloro-","Hypoxanthine","Bergaptol","Phenyllactic acid","Indomethacin","Palmitoyl ethanolamide","1-palmitoyl-2-myristoyl-sn-glycero-3-phosphocholine","Acetyl-l-carnitine","16.alpha.-hydroxyestrone","Triacylglycerol 18:1-18:1-18:2","Pyrithiobac","Nevirapine","[6,10a-dihydroxy-4-(hydroxymethyl)-4,7,11b-trimethyl-9-oxo-1,2,3,4a,5,6,6a,7,11,11a-decahydronaphtho[2,1-f][1]benzofuran-5-yl] acetate","1-oleoyl-sn-glycero-3-phosphocholine","N-stearoylsphinganine","Lnnt","Ergosine","Triacylglycerol 16:1-18:2-18:2","7',8',9',10'-tetrahydro-beta-cryptoxanthin","Chlorthalidone","Hamamelitannin","Resveratrol",".alpha.-pyrrolidinohexanophenone","Tomatidin","Phenylacetyl-l-glutamine","Gentamicin c2","Oxaziclomefone","Gardenin b","Adenine","Chlorogenic acid","Methyl 3-(3,4-dihydroxyphenyl)-2-[[4-hydroxy-3-(3-methylbut-2-enyl)phenyl]methyl]-4-methoxy-5-oxofuran-2-carboxylate","Spirodiclofen","7-methoxycoumarin","1,2-dilinoleoyl-sn-glycero-3-phosphoethanolamine","Hydroquinidine","2-aahhda [dmed-fahfa]","Purine","Ile-Arg","2-aminoethylphosphonic acid","Ebastine","Promethazine","Tolfenpyrad","Pipamperone","Geissospermine","Medroxyprogesterone 17-acetate","Cucurbitacin d","Cucurbitacin e","Carnosol","Cucurbitacin b","Hexadecylacetylglycerol","Leptomycin b","1h-indole-5-sulfonamide, n-(3-chlorophenyl)-3-[[3,5-dimethyl-4-[(4-methyl-1-piperazinyl)carbonyl]-1h-pyrrol-2-yl]methylene]-2,3-dihydro-n-methyl-2-oxo-, (3z)-","Melibiose","Coniferyl aldehyde","Benzoic acid, 3-[[(3-carboxycyclohexyl)amino]carbonyl]-4-[3-[4-[4-(cyclohexyloxy)butoxy]phenyl]propoxy]-","Triphenyltin hydroxide","Nonanoic acid","Maltotriose","Aconine","Valproic acid","Prostaglandin a2","2-(3,5-dihydroxy-1,4-dioxo-1,4-dihydronaphthalen-2-yl)-3-methoxy-5-methylbenzoic acid","Beta-estradiol","Dichlormid","Isobutyryl-l-carnitine",".beta.-sitosterol","((4r)-4-((3r,5s,7r,9s,10s,13r,14s,17r)-3,7-dihydroxy-10,13-dimethylhexadecahydro-1h-cyclopenta[a]phenanthren-17-yl)-2,2-dimethylpentanoyl)glycine","Methyldopa","Flavine mononucleotide","Maslinic acid","N-methyltyramine","Oleic acid methyl ester","Dodemorph","Dinitramine","Agelasine (stereochemistry of diterpene unknown)","Pentapropylene glycol","Pyridoxamine","Diclobutrazol","4-hydroxycyclophosphamide","Acrinathrin","1-palmitoyl-2-linoleoyl-sn-glycero-3-phosphocholine","4-nitrosodiphenylamine","7-amino-4-methylcoumarin","L-palmitoylcarnitine","Picloram","Mefenamic acid","1,2-dilinolenoyl-sn-glycero-3-phosphoethanolamine","S-1 methanandamide","Penitrem a","Ligustrazine hcl","Fluorene","2-oleoyl-1-palmitoyl-sn-glycero-3-phosphoserine","4',5-dihydroxy-7-methoxyflavanone","Dibutyl phthalate","8-hydroxyquinoline-2-carbonitrile","2-aminophenol","Ursodeoxycholic acid","Terbutaline","(+)-isocorydine","Naproxen","1,5-diaminonaphthalene","1-stearoyl-2-docosahexaenoyl-sn-glycero-3-phosphocholine","Bimatoprost serinolamide","Chrysosplenetin","Deoxythymidine triphosphate","1-o-hexadecyl-2-deoxy-2-thio-s-acetyl-sn-glyceryl-3-phosphorylcholine","Palmyramide a","Leu-Trp-Arg","Cidofovir","4-hydroxyhexenal","Omethoate","Icos-19-ene-1,2,4-triol","Methyl jasmonate","Dixyrazine","Eplerenone","Bis(2-ethylhexyl) adipate","Methanesulfonamide, n-[4-[[1-[2-(6-methyl-2-pyridinyl)ethyl]-4-piperidinyl]carbonyl]phenyl]-","Heptadecasphing-4-enine","Protoporphyrin ix","(r)-butyrylcarnitine","TG 18:1-17:1-18:1-d5","17.beta.-nandrolone decanoate","1-hydroxy-2-naphthoic acid","Jervine","Resveratrol dimer","N,n,n-trimethyllysine","Ala-Trp-Arg","Butanoic acid","P-tert-octylphenol tetradecaglycol ether","1h-indole-3-carboxamide, 7-methoxy-1-[2-(4-morpholinyl)ethyl]-n-[(1s,2s,4r)-1,3,3-trimethylbicyclo[2.2.1]hept-2-yl]-","D-glucose 6-phosphate","Triclopyr","Lappaconitine","4-nitroquinoline-1-oxide","N-fluorenylacetamide",".beta.-d-glucopyranosiduronic acid, 6-[3-(1-naphthalenylcarbonyl)-1h-indol-1-yl]hexyl","1-docosahexaenoyl-2-stearoyl-sn-glycero-3-phosphocholine","1-heptadecanoyl-sn-glycero-3-phosphocholine","5alpha-pregnan-3,20-dione","Diadinochrome","Pyrrolidine","Quinolinate","Dihydroevocarpine","Isoxadifen-ethyl","Succinic acid n,n-dimethylhydrazide","Albizziin","Isopentenyladenosine","DL-serine","Nicotinate","Terfenadine","Clozapine","Imazethapyr","Tobramycin","Ondansetron","Hydroxyebastine","[8-[2-(3-methylbutanoyloxy)propan-2-yl]-2-oxo-8,9-dihydrofuro[2,3-h]chromen-9-yl] 3-methylbutanoate","1-o-hexadecyl-2-o-acetyl-sn-glyceryl-3-phosphorylcholine","Ile-Thr","2-docosahexaenoyl-1-stearoyl-sn-glycero-3-phosphoethanolamine","Salmeterol","2(1h)-pyridinone","Solanidine","Ser-Thr","N-(octadecanoyl)sphing-4-enine-1-phosphocholine","Agaric acid","1-o-octadecyl-sn-glyceryl-3-phosphorylcholine","Edpetiline","Stearoyl ethanolamide","Microcystin rr","Asn-Arg-Lys","Cyhalofop-butyl","Normorphine","5-methylbenzotriazole","Cefaclor","Angelicin","Lasalocid","Astrasieversianin xv","Coumatetralyl","D-erythro-sphingosine-1-phosphate","Aspartate conjugated chenodeoxycholic acid","Trenbolone","Prothioconazole","(.+/-.)-nuarimol","6-methylchromone","Fluroxypyr","2-methyl-.alpha.-pyrrolidinopropiophenone","Eschscholtzxanthin","Lipoxin a4",".alpha.-pyrrolidinononanophenone","3-(myristoyloxy)palmitoyl lysine from cohen et al nature 549 48 53 2017","Myristoyl-l-carnitine","(-)-caryophyllene oxide","Arginine","Ala-Phe","6-(methylthio)purine","4-hydroxy-3-methoxybenzyl alcohol","L-carnitine","Tetrabenazine","Fexofenadine","L-carvone","Temazepam","Demeton s","Oleamide","Heliotrine","Ile-Trp-Lys","DL-arginine","5-[(3s,8r,10r,13r,14s,17r)-3-[(2r,3r,4r,5s,6r)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2s,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-14-hydroxy-10,13-dimethyl-1,2,3,6,7,8,9,11,12,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]pyran-2-one","15-deoxy-goyazensolide","Dimethenamid","Metamitron","Leu-Val","2'-deoxyguanosine 5'-diphosphate","(+)-costunolide","7.alpha.,27-dihydroxycholesterol","1-oleoyl-2-linoleoyl-rac-glycerol","Diisopropylethylamine","Canthaxanthin","Brucine","Pyraclonil","2-amino-2-methyl-1-propanol","Oleoyl sarcosine","Pimpinellin","Lycopene-5,6-diol","Dihydrotachysterol","Benzyl alcohol","1-stearoyl-2-arachidonoyl-sn-glycero-3-phosphoserine","N-acetyl-d-glucosamine 6-phosphate","5-methylisoxazol-3-amine","1-o-hexadecyl-2-o-(2e-butenoyl)-sn-glyceryl-3-phosphocholine","L-saccharopine","1-(1z-octadecenyl)-2-(5z,8z,11z,14z-eicosatetraenoyl)-sn-glycero-3-phosphocholine","Azamethiphos","Tetrodotoxin","1-o-hexadecyl-2-o-(5z,8z,11z,14z,17z-eicosapentaenoyl)-sn-glyceryl-3-phosphorylcholine","L-glutarylcarnitine","G0","1-palmitoyl-2-hydroxy-sn-glycero-3-phospho-(1'-rac-glycerol)","[4,5-dihydroxy-6-(hydroxymethyl)-2-[2,4,6-trihydroxy-3-(4-hydroxybenzoyl)phenyl]oxan-3-yl] 3,4,5-trihydroxybenzoate","1-o-hexadecyl-2-o-(n-methylcarbamoyl)-sn-glyceryl-3-phosphorylcholine","Valeramide","5-(1,2,4a,5-tetramethyl-7-oxo-3,4,8,8a-tetrahydro-2h-naphthalen-1-yl)-3-methylpentanoic acid","5-androsten-3.beta.,16.alpha.-diol-17-one","Oligomycin b","N-docosanoyl-4-sphingenyl-1-o-phosphorylcholine","Oligomycin c",".beta.-muricholic acid","Clomazon","17-phenyltrinorprostaglandin f2.alpha. cyclopropyl methyl amide","N-octanoylsphingosine","1-oleoyl-2-acetyl-sn-glycerol","N-trifluoroacetyl deacetylcolchiceine","Eleutherin","Cyclopiazonic acid","4-penten-1-one, 3,3,4-trimethyl-1-(1-pentyl-1h-indol-3-yl)-","1-behenoyl-2-hydroxy-sn-glycero-3-phosphocholine","Butabarbital","1,2-dimyristoyl-sn-glycero-3-phosphoethanolamine","Nakijiquinone c","Acephate","(-)-secoisolariciresinol","7-benzyl-11,14,20-trimethyl-16-(2-methylpropyl)-10,13-di(propan-2-yl)-17-oxa-1,5,8,11,14-pentazabicyclo[17.3.0]docosane-2,6,9,12,15,18-hexone","Stearidonic acid","2-hexenal","Aripiprazole","Tetradifon","Amidosulfobetaine-14","2-(4-pyridyl)-4-methylthiazole-5-carboxylic acid","Ecgonine","Triacylglycerol 16:0-18:1-18:1","1-methylhistidine",".gamma.-muricholic acid","Hexanamide, n-[(1s,2r,3e)-2-hydroxy-1-(hydroxymethyl)-3-heptadecen-1-yl]-6-[(7-nitro-2,1,3-benzoxadiazol-4-yl)amino]-",".alpha.-carboxybenzylpenicillin","1-(1z-octadecenyl)-2-(4z,7z,10z,13z,16z,19z-docosahexaenoyl)-sn-glycero-3-phosphocholine","Tetrandrine","Carbamic acid, [3-methyl-1-[[[1-[oxo[(2-pyridinylmethyl)amino]acetyl]butyl] amino]carbonyl]butyl]-, phenylmethyl ester","Glycerol 1-myristate","Acyclovir","Acetaminophen","Cer 20:1-d7 (d18:1-d7/20:1)","Sclareolide","5-methylcytosine","Vildagliptin","L-kynurenine","Cabergoline","Progesterone 3-biotin","Oleana-1,9(11)-dien-28-oic acid, 2-cyano-3,12-dioxo-","Tetradec-5-ynoic acid","Bispyribac","Guanine","Meperidine","Nivalenol","Latrunculin a","Benzobicyclon","Allidochlor","Debrisoquin","S-methyl-5'-thioadenosine","Cyclosulfamuron","2-amino-1-phenylethanol","Eriodictyol","Tetrahydrozoline","8-(4-chlorophenylthio)guanosine-3',5'-cyclic monophosphorothioate, rp-isomer","Xanthosine","Lithospermic acid","Myriocin","1-piperidinecarboxamide, n-phenyl-4-(3-quinolinylmethyl)-","Nigericin","(2r)-3-hydroxyisovaleroylcarnitine","Glucosamine-6-phosphate","Tris(hydroxymethyl)aminomethane","Talatizamine","Terpestacin","9-oxo-11-(3-pentyl-2-oxiranyl)-10e-undecenoic acid","Zolmitriptan","Tauroursodeoxycholic acid","7-alpha-hydroxy cholesterol","Dimethachlon","Pravastatin","2,2-bis[hydroxymethyl]-2,2',2''-nitrilotriethanol","Glycocholate","Nocodazole","Bisphenol a","4-(1-piperazinyl)-1h-indole","3,4,5-trihydroxy-6-[5-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-3-methoxy-4-oxochromen-7-yl]oxyoxane-2-carboxylic acid","Stachyose","Dibutyl adipate","Chloramphenicol","2-epahpa [dmed-fahfa]","Noratropine","2'-Deoxyadenosine 5'-monophosphate (dAMP)","DL-isoleucine","Urea, n-cyclopropyl-n'-[3-[6-(4-morpholinylmethyl)-1h-benzimidazol-2-yl]-1h-pyrazol-4-yl]-","Dyphylline","Pro-Thr","Hygromycin b","Apramycin","Hexythiazox","Orientin","Guanidinoethyl sulfonate","3-phenoxy-1-propanol","Isoflavone base + 1o, 2meo, o-hex+c7h12no","Asiatic acid","Asn-Glu","N.omega.-propyl-l-arginine","Diclofenac","Mefluidide","Z-ligustilide","His-Lys","Phosphatidylserine","His-ser","6,7-dimethoxy-8-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-2-one","Gly-pro-arg-pro-amide","Pymetrozin","Dl-kavain","Spirotetramat","Benzyl butyl phthalate","6-aminocaproic acid","Sarcosine","5a,6-anhydrotetracycline","16-Hydroxypalmitic acid","Taurine","Amastatin","Bixin","D-myo-inositol-1,4,5,6-tetraphosphate","Angustifoline","Naltrexone","(3r,5s,7r,9s,10s,12s,13r,14s,17r)-17-((2r)-7-hydroxy-6-methylheptan-2-yl)-10,13-dimethylhexadecahydro-1h-cyclopenta[a]phenanthrene-3,7,12-triol","Lithocholic acid","Amidosulfuron","Ursolic acid methyl ester","Procymidone","3-hydroxy-3-methylglutaric acid","1-palmitoyl-2-docosahexaenoyl-sn-glycero-3-phosphocholine","Proscillaridin","Agmatine","Isostearic acid","Nodakenin","Epothilone b","Vinblastine","Palmitoylserinol","Enhydrin","Glycerol","Lycoctonine","Ursocholanic acid","Ascomycin","Prometon","Garcinolic acid","4,4-dimethylcholest-8(9),24-dien-3.beta.-ol","Bezafibrate","5-L-Glutamyl-L-alanine","2-linoleoyl-1-palmitoyl-sn-glycero-3-phosphoethanolamine","4-aminoimidazole","Topiramate","Conessine","Undecanoic acid","2-oleoyl-1-stearoyl-sn-glycero-3-phosphoserine","Artemisinin","Ganoderic acid h","1-piperazinecarboxylic acid, 4-[1-[[4-[(1,1-dimethylethoxy)carbonyl]phenyl]methyl]-1h-indol-4-yl]-, 1,1-dimethylethyl ester","Thiamphenicol","2,6-di-tert-butylpyridine","Sulforaphane","Triethanolamine","Ht-2 toxin","3-dehydroepiandrosterone sulfate","Dimethoate","1-Stearoyl-2-oleoyl-sn-glycerol 3-phosphocholine (SOPC)","Fluoroglycofen-ethyl","Phenylalanine","Thymidine 5'-monophosphate","1,2-dipalmitoyl-sn-glycero-3-phosphoethanolamine-n,n-dimethyl","Cholesterol","Latanoprost","Psoralidin","Furazolidone","Pentaethylene glycol","(2s,3s)-3,5,7-trihydroxy-6-methyl-2-(3,4,5-trihydroxyphenyl)-2,3-dihydrochromen-4-one","Zeta-carotene","7-methyluric acid","Parthenolide","Uracil","Domoic acid","Amprenavir","2-docosahexaenoyl-1-stearoyl-sn-glycero-3-phosphoserine","Withaferin a","Baccatin iii","1.alpha.-methyl-5.alpha.-androstan-3.alpha.-ol-17-one","Tefluthrin","Morphine","Caulophylline","Alizarin","Arg-Cys-Lys","Glu-His","Cytosine","Formosanine","Auranofin","2-amino-5-chlorobenzoxazole","Arg-glu","2-naphthalenol, 1-[(2,4-dimethylphenyl)azo]-","Pregnenolone sulfate","2-imidazolidinethione","Sulfallate","Trp-His-Arg","Enterolactone","Kobusone","Lomefloxacin","2-methoxy-5-nitrophenol","Cysteic acid","Ambroxol","1-stearoyl-2-linoleoyl-sn-glycero-3-phospho-l-serine","Val-Val","Oleyl anilide","Disopyramide","Ethephon","Diacetoxyscirpenol","Indinavir","5,6-dimethylbenzimidazole","3-bromobenzyl alcohol","Telaprevir (vx-950)","Ergosterol acetate","2,3,5,6-tetramethylpyrazine","Pyruvate","Tetraethyl pyrophosphate","Tiamulin","Propetamphos","S-methyl-l-cysteine","5-[1,2,4a-trimethyl-5-(3-methylbutanoyloxymethyl)-2,3,4,7,8,8a-hexahydronaphthalen-1-yl]-3-methylpentanoic acid","Hirsutine","Myriocin-12-en","Timosaponin b ii","Pro-Trp","Glutamine","1,2-dithiolane-3-pentanamide, n,n'-1,3-propanediylbis-","Apratoxin f","Chitobiose","Loroxanthin","Histidine","Lnt","Cyanofenphos","Voriconazole","Norflurazon","Roseotoxin a","Ser-Phe","Dimethomorph","Withanolide b","3,3',5-triiodo-l-thyronine","Roxithromycin (roxl-150)","Phosphoric acid","7,8-dihydroneopterin","Alpha-chaconine","3,4-di-o-galloylquinic acid","1-hexadecyl-2-(9z-octadecenoyl)-sn-glycero-3-phosphocholine","Bassanolide","1-stearoyl-2-oleoyl-sn-glycero-3-phosphoethanolamine","Butyric acid, 4-[(4-chloro-o-tolyl)oxy]-","Fensulfothion","Formononetin","Glycerophosphocholine","[(2r,3r,4s,5s,6r)-3-acetyloxy-2-(acetyloxymethyl)-5-hexanoyloxy-6-[(2s,3r)-2,3,4-trihydroxybutoxy]oxan-4-yl] tetradecanoate","Ergothioneine","Glimepiride","(+)-.gamma.-tocopherol","Retrorsine n-oxide","Norharmane","Ginsenoside f1","1-myristoyl-2-palmitoyl-sn-glycero-3-phosphocholine","Monensin sodium (monensin a is shown)","7-ethoxyresorufin","Propazine","Ethcathinone","Dipivefrine","1-stearoyl-2-linoleoyl-sn-glycero-3-phospho-(1'-rac-glycerol)","Phencyclidine","2-amino-1-methyl-6-phenylimidazo[4,5-b]pyridine (phip)","Indoleacetic acid","Cycloxydime",".alpha.,.alpha.'-trehalose 6-phosphate","(r)-(+)-arachidonyl-1'-hydroxy-2'-propylamide","Lys-Ser","Xanthine","D-alanine","Gabapentin related compound a","Cordycepin","Schizandrin","Aldosterone","Indirubin-3'-monoxime","Benzo(b)fluoranthene","Ile-Asp-Lys","Sulfentrazone","Rhodoxanthin","Crystal violet","(9s,10r,13r,14s,17r)-17-((r)-5-hydroxypentan-2-yl)-10,13-dimethyl-1,2,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-3h-cyclopenta[a]phenanthren-3-one","1-deoxynojirimycin","6alpha-methyl-11beta-hydroxyprogesterone","Phosphorylcholine","1,2-dioleoyl-sn-glycero-3-phosphoethanolamine","Chlormadinone acetate","Nervonoyl ethanolamide","Binapacryl","N-nervonoyl-d-erythro-sphingosylphosphorylcholine","Irbesartan","Solasodine","Echimidine","N-acetyl-d-glucosamine","Dinaciclib","Glycerol trioleate","3-furancarboxylic acid, tetrahydro-4-methylene-2-octyl-5-oxo-, (2r,3s)-","D-ribulose 1,5-bisphosphate","His-Tyr","Fumiquinazoline f","Isolithocholic acid","Vitamin k1","Sciadopitysin","Lauryldimethylamine oxide","Cromolyn","Oxadixyl","1-methyl-l-histidine","Cephalexin","Camalexin","2-hydroxyethyl n-octyl sulfide","Aminomethylphosphonic acid","Piperidine","3-oxazolidinecarboxylic acid, 2,2-dimethyl-4-(1-oxo-2-hexadecyn-1-yl)-, 1,1-dimethylethyl ester, (4s)-","Tripelenamine","2-aminoadipic acid","Prostaglandin f2.beta.","gamma-L-Glutamyl-L-phenylalanine","Adenosine 3',5'-cyclic monophosphate","Ciodrin","N-lauroyl-d-erythro-sphingosylphosphorylcholine",".beta.-estradiol 3,17-dipropionate","Phosphocholine","Berberine chloride","Benz[a]anthracene","1,7-bis(4-hydroxyphenyl)-5-[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyheptan-3-one","Nomilin","Sarcinaxanthin monoglucoside","Tebutam","Cer(d18:1/18:1(9Z))","Carminic acid","(4ar,5r,6as,6br,10s,12ar)-10-[(2r,3r,4r,5s,6r)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5-hydroxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid","Carfentrazone-ethyl","(-)-.alpha.-kainic acid","Chlorpyrifos-methyl","D-myo-inositol-1,3-diphosphate","2'-deoxyadenosine 5'-monophosphate","L-bunolol","7-chloro-3-methylquinoline-8-carboxylic acid","1-stearoyl-2-hydroxy-sn-glycero-3-phosphate","15-ketoprostaglandin e2","Rac-didemethylcitalopram","Dictamine","(1s,2r,4as,6ar,6br,10s,12ar,14bs)-1,2,6b,9,9,12a-hexamethyl-10-[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydro-1h-picene-4a,6a-dicarboxylic acid","Cer 18:1-d7 (d18:1-d7/18:1)","Quinoline","Diazepam","Acetic acid, 2-(2,4,6-trichlorophenoxy)-, (2e)-2-(1h-pyrrol-2-ylmethylene)hydrazide","Triflumuron","Phe-Asp-Lys","Hydroxyflutamide","Tropinone","Fucoxanthin","10-hydroxymorphine","Hydrochlorothiazide","Paxilline","Phenol","L-glutathione, reduced","Barbamate","N-[5-[[4-[4-[acetyl(hydroxy)amino]butylamino]-4-oxobutanoyl]-hydroxyamino]pentyl]-n'-(5-aminopentyl)-n'-hydroxybutanediamide","Didodecyl 3,3'-thiodipropionate oxide","NCGC00347372-02","Kelevan","Scopularide g","Glucosamine","Hyperoside","Profluralin","Scopularide f","Phenyl phosphate","1-o-octadecyl-2-o-methyl-sn-glyceryl-3-phosphorylcholine","N-(.alpha.-linolenoyl)tyrosine","1-arachidoyl-2-hydroxy-sn-glycero-3-phosphocholine","Glu-Arg","N-acetyl-l-aspartic acid","Propafenone","Pteryxin","3-(3-(1,2-dihydroxy-1,2-dihexanoyl)thiopropane)inositol-4,5-diphosphate","1,3,6-tri-o-galloyl-.beta.-d-glucose","2-(2',3',4'-trihydroxybutyl)quinoxaline","Astilbin","3'slec","Fenpropidin","Pentazocine","Acetylvanillin","Benzyl alcohol, p-fluoro-.alpha.-[1-(methylamino)ethyl]-, erythro-(.+/-.)-","L-beta-homomethionine","Isoetharine","Betulinic acid","Ronnel","Met-Tyr-Arg","5-aminolevulinic acid","15-ketoprostaglandin a1","Quillaic acid","(1r,3ar,3bs,4ar,6s,7s,7ar,8r,8ar,9ar)-1,4a,8-tris(acetyloxy)-2,2,3b,6,8a-pentamethyl-4,9-dioxo-tetradecahydro-1h-cyclopenta[a]s-indacen-7-yl butanoate","Doxorubicin","Myricetin","N,n-dimethylsphingosine","L-deprenyl","Cycloposine","Fenarimol","G-guanidinobutyrate","Carbamoylaspartate","Hydroxypyruvic acid dimethyl ketal phosphate","DL-cysteine","Candesartan cilexetil","12-o-[deca-2z,4e,6e-trienoyl]-13-isobutyroyloxy-4-deoxyphorbol","4-quinazolinamine, 2-(hexahydro-4-methyl-1h-1,4-diazepin-1-yl)-6,7-dimethoxy-n-[1-(phenylmethyl)-4-piperidinyl]-","Serine conjugated chenodeoxycholic acid","N8-acetylspermidine","L-norvaline","Cytochalasin a","1-stearoyl-2-linoleoyl-sn-glycero-3-phosphocholine","2',6'-dihydroxy 4'-methoxydihydrochalcone","Cytochalasin b","Methasterone","Palmitoyl sphingomyelin","8-acetyl-6-hydroxy-7-methoxycoumarin","Acetic acid, 2-[[(2z)-4-[(1r,2r,3r,5r)-5-chloro-2-[(3r)-3-cyclohexyl-3-hydroxypropyl]-3-hydroxycyclopentyl]-2-buten-1-yl]oxy]-, 1-methylethyl ester","Flavanone hydrazone","Uridine","Cimetidine amide","Cyproconazole",".delta.12-prostaglandin d2","Raloxifene","Imazamox","Cinoxacin","(+)-pinoresinol","(3e,7e,11e,15e)-5,9,13,17,18-pentahydroxy-4,6,8,10-tetramethyl-2-[(e)-2-methylbut-2-enyl]nonadeca-3,7,11,15-tetraenedioic acid","Mianserin n-oxide","Trans-zeatin","N6-methyl-l-lysine","Propiconazole","Equol","N-myristoylsphinganine",".alpha.-hydroxyoctadecanoyl coenzyme a","Amodiaquin","12-oxo-5z,8z,10e,14z-eicosatetraenoic acid","Gardenin","Cis-aconitate","Pyroquilon","Emetine","1,2-di-(9z,12z,15z-octadecatrienoyl)-sn-glycero-3-phosphocholine","Swainsonine","Thiamine","N-methylaniline","Catalposide","5-[[17-(5,6-dihydroxy-6-methylheptan-2-yl)-3,12-dihydroxy-4,4,10,13,14-pentamethyl-2,3,5,6,7,11,12,15,16,17-decahydro-1h-cyclopenta[a]phenanthren-2-yl]oxy]-3-hydroxy-3-methyl-5-oxopentanoic acid","(+)-.alpha.-tocopherol","Genipin-gentiobioside","Ddao","2-erahpa [dmed-fahfa]","3,4-dihydroxymandelic acid","Dehydroaripiprazole","Ergocristam","5.alpha.-cholest-7-en-3.beta.-ol","1-pyrrolidinecarboxamide, n-[3-[[5-iodo-4-[[3-[(2-thienylcarbonyl)amino]propyl]amino]-2-pyrimidinyl]amino]phenyl]-","Propentofylline","Irgarol","Trachelanthine","Cinnamyl 3,4-dihydroxy-.alpha.-cyanocinnamate","5-[5-hydroxy-3-(hydroxymethyl)pentyl]-8a-(hydroxymethyl)-5,6-dimethyl-3,4,4a,6,7,8-hexahydronaphthalene-1-carboxylic acid","Colladonine","Chelidonin","3-[(cholamidopropyl)dimethylammonio]-1-propanesulfonate","Cypermethrin","Benzoic acid, 3,6-dichloro-2-methoxy-","Isofraxidin","Harmalol","1h-indole-3-carboxylic acid, 1-(cyclohexylmethyl)-","(-)-riboflavin","Arg-Pro-Lys","9-hydroxy-5b,8,11a-trimethyl-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysene-3a,5a,8-tricarboxylic acid","N-Palmitoylsphingosine","Deoxynivalenol","Caulophyllogenin","1-(1z-octadecenyl)-2-(5z,8z,11z,14z-eicosatetraenoyl)-sn-glycero-3-phosphoethanolamine","Perindopril","Trimethylamine n-oxide","3-amino-2,5-dichlorobenzoic acid","7-hydroxy-3-(2-oxochromen-7-yl)oxy-8-[2-oxo-7-[(2s,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxychromen-8-yl]chromen-2-one","2-((2r,4r)-2-hydroxy-4-((3r,5r,8r,9s,10s,13r,17r)-3-hydroxy-10,13-dimethylhexadecahydro-1h-cyclopenta[a]phenanthren-17-yl)pentanamido)ethane-1-sulfonic acid","3-ureidopropionic acid","1-hexadecyl-sn-glycero-3-phosphocholine","Gibberellin a4","1,24-dihydroxyvitamin d3","P-tert-octylphenol nonaglycol ether","Zearalenone","N-acetyldihydrosphingosine","Lauroyl-l-carnitine","Propanoic acid","Lewis y tetrasaccharide","Leu-Glu-Arg","Astemizole","1-palmitoyl-2-oleoyl-sn-glycerol","Cytochalasin h","Cis-10-heptadecenoic acid","Cytochalasin j","Gly-Trp-Lys","Alprenolol","(-)-norephedrine","Mepacrine","Lichesterinic acid","Creatinine","N,n-dimethyl-n'-phenylsulfamide","Pyridoxine","1,2-diamino-2-methylpropane","3-(n-morpholino)-2-hydroxypropanesulfonic acid","Roseoflavin","L-tryptophanamide","Cimifugin","Carisoprodol","(r)-4-((8s,9s,10r,13r,14s,17r)-10,13-dimethyl-3-oxo-2,3,8,9,10,11,12,13,14,15,16,17-dodecahydro-1h-cyclopenta[a]phenanthren-17-yl)pentanoic acid","Valine conjugated cholic acid","Steviol","Pregabalin","Resveratrol 3-o-d-glucuronide","Sn-glycerol-3-phosphoethanolamine","Gamma-glu-glu","2-pivaloyl-1,3-indandione","Tenofovir","Pectenolone","4-aminophenol","1,2-diarachidonoyl-sn-glycero-3-phosphocholine","2-cis-4-trans-abscisic acid","C16 lactosyl ceramide (d18:1/16:0)","1-hydroxy vitamin d2","Hesperetin","Terconazole","N-arachidonoyl-.gamma.-aminobutyric acid","5-hydroxy-l-tryptophan","Butanamide, n-[(3s,5s)-1-(1,3-benzodioxol-5-ylmethyl)-5-(1-piperazinylcarbonyl)-3-pyrrolidinyl]-n-[(3-methoxyphenyl)methyl]-3,3-dimethyl-","(r)-4-((3r,5r,8s,9s,10r,13r,14s,17r)-3-hydroxy-10,13-dimethyl-6-oxohexadecahydro-1h-cyclopenta[a]phenanthren-17-yl)pentanoic acid","Borrelidin","Geniposide","Diclofop-methyl","3-amino-2,3-dihydrobenzoic acid",".gamma.-dodecalactone","[1-hexadecanoyloxy-3-phosphonooxypropan-2-yl]octadec-9-enoate","Letrozole","Methyl arachidonyl fluorophosphonate","1h-benzofuro[2,3-c]azepin-1-one, 2,3,4,5-tetrahydro-7-hydroxy-","N-acetylneuraminic acid","Ethylmorphine","Dioxacarb","Caffeate","Dodecanoic acid","D-mannose 6-phosphate","Isopimaric acid","Tris(2-butoxyethyl) phosphate","Methanone, [1-(5-fluoropentyl)-2-methyl-1h-indol-3-yl](2,2,3,3-tetramethylcyclopropyl)-","2-lahpda [dmed-fahfa]","L-pyroglutamic acid","1-linoleoyl-2-oleoyl-rac-glycerol","Methyl chenodeoxycholate","Kendomycin","1-o-hexadecyl-2-o-(4z,7z,10z,13z,16z,19z-docosahexaenoyl)-sn-glyceryl-3-phosphorylcholine","Nudifloramide","Pro-Arg-Arg","N-nitrosopiperidine","Butylated hydroxytoluene","2-epahsa [dmed-fahfa]","14-methylpentadecanoic acid","2-sdahaa [dmed-fahfa]","Lormetazepam","Flavone base + 3o, c-hex, c-pen","Flutriafol","Isomethiozin","Dihydroalbocycline","Adenosine 3'-monophosphate","Indole-3-acetonitrile","Thiamine monophosphate","Clofazimine","Picrotin","Podofilox","Prostaglandin f2.alpha. dimethylamide","Ng,ng-dimethyl-l-arginine","Fenitrothion","D-glucuronolactone","Pentamidine","[6-[2-(3,4-dihydroxyphenyl)-8-hydroxy-4-oxochromen-7-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl (e)-3-(4-hydroxyphenyl)prop-2-enoate","Perchloroterephthalic acid","2-amino-4,6-dinitrotoluene","2-phosphoglycerate","Pseudojervine","Glutamate conjugated cholic acid","Met-Met","Linezolid","Caldine","Tectoridin","Gabapentin","4,6(1h,5h)-pyrimidinedione, dihydro-5-[[5-(2-nitrophenyl)-2-furanyl]methylene]-1,3-diphenyl-2-thioxo-","Citrinin",".alpha.-chloralose","Prilocaine","Leukotriene e4","1-palmitoyl-2-oleoyl-3-linoleoyl-rac-glycerol","Hyperforin","Finasteride 2-(2-methylpropanol)amide","1-(hexadecanoyloxy)-3-hydroxypropan-2-yl-octadec-9-enoate","Lincomycin","Ile-Pro","Shikimate","Niacinamide","Pyridate","N-arachidonoyl-3-hydroxy-.gamma.-aminobutyric acid","Nordihydroguaiaretic acid","Dehydroandrographolide","7.alpha.-hydroxy-4-cholesten-3-one","Exo-norborneol","Securinine","Osthole","3-methylcytidine","Estra-1,3,5(10),7-tetraene-3,17.beta.-diol","P-tert-octylphenol undecaglycol ether","Bis(2-ethylhexyl) sebacate","Hc toxin","2-phenylpropionaldehyde","N-(dodecanoyl)sphing-4-enine-1-phosphate","4-quinazolinamine, 7-[3-(dimethylamino)propoxy]-2-(hexahydro-4-methyl-1h-1,4-diazepin-1-yl)-6-methoxy-n-(1-methyl-4-piperidinyl)-","Pinacidil","Nilutamide","Gossypol","Triamcinolone diacetate","7-methylguanosine","Acetyleugenol","Phytosphingosine","Methixene","Xanthosine 5'-monophosphate","Indoleacrylic acid","Cortodoxone","Propranolol","6-acetylmorphine","Prostaglandin e1 ethanolamide","Monomethyl tetrachloroterephthalate","(3r,6r)-6-((3r,5s,7r,8r,9s,10s,12s,13r,14s,17r)-3,7-diacetoxy-12-hydroxy-10,13-dimethylhexadecahydro-1h-cyclopenta[a]phenanthren-17-yl)heptane-1,3-diyl diacetate","O-phosphotyrosine","2-palmitoyl-rac-glycerol","Malathion","5alpha-androstan-17beta-ol-3-one","Ibogaine","1-palmitoyl-sn-glycero-3-phosphocholine","Sepiapterin","Nimetazepam","3-formylchromone","3,6-dibenzyl-9-[(2,3-diamino-1,2-dihydroindol-3-yl)methyl]-1,4,7-triazonane-2,5,8-trione","Linamarin","S,s'-1,3-phenylenebis(1,2-ethanediyl)bisisothiourea","D-glutamine","Adenosine 2'-monophosphate","Androstan-3-ol-17-one 3-glucuronide","Monuron","Butylate","Isazophos","Acetochlor ethanesulfonic acid","1,2-dioleoyl-sn-glycerol","(2r,6r)-6-[(3r,10s,12s,13r,17r)-3-(2-carboxyacetyl)oxy-12-hydroxy-4,4,10,13,14-pentamethyl-2,3,5,6,7,11,12,15,16,17-decahydro-1h-cyclopenta[a]phenanthren-17-yl]-2-methyl-3-methylideneheptanoic acid","Shikonin","2-deoxy-d-glucose","Tyrosine conjugated deoxycholic acid putative","1,2-dihexadecanoyl-sn-glycero-3-phosphocholine","14-benzoyltalatizamine","Nicotinate d-ribonucleotide","Eplerenone hydroxy acid","N-methyl-n-(tetrahydro-2-furanylmethyl)-4-piperidinamine","2-arachidonoylglycerol","Deoxyvasicinone","Enalaprilat","Lyngbyatoxin a putative or close isomer m+h","Cys-Leu-Lys","Inosine","Cocaine","4-quinazolinamine, 7-[2-[2-(dimethylamino)ethoxy]ethoxy]-2-(hexahydro-4-methyl-1h-1,4-diazepin-1-yl)-6-methoxy-n-(1-methyl-4-piperidinyl)-","DL-tyrosine","Lumichrome","(cis+trans)-nerodilol","4-(methylnitrosamino)-1-(3-pyridyl)-1-butanol","Primaquine","Ethyl 2,4-dihydroxy-6-methylbenzoate","Isorhapontin","Neohesperidin","Benzoylecgonine","Pirimicarb","Triacylglycerol 15:0-18:1-18:1","Isouron","Anserine","Scorodocarpine a","Griseofulvic acid","Pro-Met-Arg","Caffeine","P-fluorofentanyl","Dirithromycin","2,3-dihydroxybenzoic acid","Germine","Guanfacine","4-methyl-1h-pyrazole","Methyl (6r)-2-(hydroxymethyl)-6-((3r,5s,7r,9s,10s,12s,13r,14s,17r)-3,7,12-trihydroxy-10,13-dimethylhexadecahydro-1h-cyclopenta[a]phenanthren-17-yl)heptanoate","Antipyrine","Mepanipyrim","2-docosahexaenoyl-1-palmitoyl-sn-glycero-3-phosphoethanolamine","Zectran","16-phenyltetranorprostaglandin e1","P-tert-octylphenol pentadecaglycol ether","1-palmitoyl-2-thiopalmitoyl phosphatidylcholine","Guan-fu base y","Didodecyl 3,3'-thiodipropionate","Tolyfluanide","Isopropylcocaine","2-alahaa [dmed-fahfa]","2,3,5-triiodobenzyl alcohol","Sulprofos","Isopropalin","Acetylcholine","1h-pyrazole-3-carboxamide, 1-(2,4-dichlorophenyl)-5-(4-iodophenyl)-4-methyl-n-1-piperidinyl-",".gamma.-linolenoyl ethanolamide","Manoalide","4-fluoro-.alpha.-pyrrolidinobutiophenone","Fluazinam","Anisatin","(s)-10-hydroxycamptothecin","Flunixin","Aristolochic acid","Labetalol","Chlorothiazide","1-[4,5-dihydroxy-6-(hydroxymethyl)-3-[(e)-3-(4-hydroxyphenyl)prop-2-enoyl]oxyoxan-2-yl]oxy-6-hydroxy-7-methylidene-4a,5,6,7a-tetrahydro-1h-cyclopenta[c]pyran-4-carboxylic acid","Glu-Asn-Arg","Indole-3-acetamide","4-pregnen-17.alpha., 20.alpha.-diol-3-one","Leukotriene b3","Miconazole","Oxolinic acid","Deoxycorticosterone acetate","Simvastatin","N-desethylsunitinib","N-ethylbuphedrone","Erucamide","Ala-Thr","(r)-4-((7r,8s,9s,10r,13r,14s,17r)-7-hydroxy-10,13-dimethyl-3-oxo-2,3,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1h-cyclopenta[a]phenanthren-17-yl)pentanoic acid","Sulprophos sulfoxide","N,n-dimethylformamide","Bufalin","Miltefosine","N,n'-1,8-octanediylbis[2,2-dichloroacetamide]","Leu-Leu-Lys","Ophiobolin a","Tyr-Val","His-Ala-Lys","Methionine sulfoxide","S-indoxacarb","N-methyl-l-glutamic acid","Raffinose","Prostaglandin e2 p-benzamidophenyl ester","2-mohma [dmed-fahfa]","Senecionine","1-lignoceroyl-2-hydroxy-sn-glycero-3-phosphocholine","4'-hydroxy-6-methylflavone","Azelaic acid","6-[(6,8-dihydroxy-7-methoxy-3-methyl-1-oxo-3,4-dihydroisochromen-4-yl)oxy]-4,8-dihydroxy-7-methoxy-3-methyl-3,4-dihydroisochromen-1-one","2,3,6-trichlorobenzoic acid","(2e,4e)-n-[2-(4-hydroxyphenyl)ethyl]dodeca-2,4-dienamide","3,3'-dimethyl-4,4'-diaminodiphenylmethane","Triphenyl phosphate","Diethyltoluamide","Reticuline","Mandipropamid","Celecoxib","3-formyl-5-methoxychromone","Psoralen","Anisomycin","Isatin","Glycodeoxycholic acid","2-methylamino-1-(3,4-methylenedioxyphenyl)propan-1-one","Norvaline, 5-phosphono-","Biopterin","Daidzein","D-mannitol 1-phosphate"],"additional_accession":[]},"is_claimable":false,"name":"Untargeted metabolomics profiling of intestinal epithelium-specific PCK1 knockout mice and littermate controls","description":"Metabolic dysregulation may serve as a pivotal driver of inflammatory bowel disease, with the crosstalk between metabolism and the immune system emerging as a critical research focus. Ulcerative colitis patients exhibit enhanced glycolysis but suppressed gluconeogenesis in the intestinal mucosa, yet the mechanistic links between these metabolic alterations and mucosal injury remain poorly defined. We found that Pck1 expression was significantly downregulated in colon tissues of UC patients and mice with DSS-induced colitis.
","dates":{"publication":"2026-06-24","submission":"2025-04-30"},"accession":"MTBLS12440","cross_references":{"HMDB":["HMDB0039353","HMDB0031727","HMDB0248211","HMDB0059883","HMDB0001124","HMDB0242587","HMDB0000865","HMDB0000852","HMDB0000112","HMDB0000760","HMDB0060631","HMDB0013122","HMDB0035359","HMDB0008727","HMDB0304650","HMDB0010382","HMDB0243892","HMDB0000001","HMDB0243935","HMDB0242115","HMDB0007869","HMDB0062195","HMDB0011149","HMDB0008097","HMDB0002815","HMDB0011506","HMDB0007991","HMDB0007973","HMDB0007965","HMDB0008927","HMDB0007102","HMDB0012383","HMDB0008043","HMDB0008057","HMDB0007179","HMDB0258493","HMDB0008039","HMDB0008993","HMDB0011131","HMDB0002107","HMDB0008443","HMDB0007098","HMDB0251414","HMDB0244088","HMDB0244821","HMDB0244815","HMDB0244212","HMDB0244231","HMDB0304547","HMDB0012535","HMDB0004668","HMDB0005079","HMDB0303977","HMDB0004240","HMDB0006294","HMDB0000313","HMDB0000374","HMDB0003955","HMDB0001065","HMDB0244974","HMDB0244975","HMDB0245219","HMDB0302754","HMDB0011747","HMDB0004666","HMDB0032855","HMDB0062477","HMDB0031496","HMDB0062766","HMDB0059709","HMDB0244190","HMDB0001864","HMDB0011538","HMDB0031626","HMDB0003391","HMDB0000397","HMDB0036584","HMDB0041799","HMDB0240715","HMDB0000905","HMDB0000014","HMDB0000960","HMDB0001044","HMDB0013751","HMDB0253211","HMDB0251519","HMDB0000355","HMDB0000732","HMDB0033858","HMDB0011600","HMDB0240577","HMDB0013245","HMDB0245978","HMDB0000026","HMDB0000265","HMDB0001856","HMDB0001866","HMDB0035930","HMDB0246682","HMDB0041809","HMDB0003681","HMDB0003929","HMDB0249961","HMDB0014378","HMDB0246383","HMDB0000921","HMDB0032012","HMDB0013856","HMDB0006468","HMDB0004284","HMDB0246466","HMDB0246440","HMDB0041609","HMDB0246549","HMDB0011653","HMDB0004816","HMDB0030090","HMDB0032985","HMDB0001149","HMDB0014389","HMDB0000472","HMDB0006248","HMDB0030637","HMDB0304210","HMDB0002894","HMDB0003701","HMDB0001170","HMDB0002961","HMDB0003759","HMDB0041812","HMDB0001901","HMDB0004081","HMDB0002886","HMDB0302356","HMDB0247230","HMDB0247249","HMDB0029758","HMDB0006040","HMDB0005862","HMDB0011107","HMDB0247294","HMDB0002275","HMDB0001993","HMDB0006281","HMDB0014429","HMDB0247901","HMDB0001859","HMDB0015196","HMDB0240773","HMDB0000895","HMDB0034122","HMDB0246153","HMDB0015585","HMDB0029663","HMDB0247960","HMDB0014925","HMDB0000034","HMDB0000050","HMDB0003540","HMDB0001134","HMDB0000058","HMDB0000448","HMDB0006772","HMDB0006552","HMDB0035208","HMDB0030475","HMDB0246298","HMDB0028694","HMDB0028697","HMDB0060561","HMDB0000037","HMDB0014940","HMDB0248144","HMDB0006254","HMDB0248154","HMDB0001151","HMDB0015004","HMDB0248277","HMDB0240707","HMDB0014751","HMDB0014328","HMDB0014559","HMDB0014839","HMDB0036557","HMDB0015348","HMDB0033930","HMDB0003012","HMDB0302686","HMDB0243530","HMDB0000194","HMDB0015503","HMDB0248529","HMDB0004080","HMDB0030352","HMDB0028708","HMDB0303361","HMDB0000052","HMDB0005042","HMDB0248598","HMDB0030095","HMDB0248652","HMDB0028730","HMDB0028747","HMDB0248667","HMDB0014775","HMDB0242667","HMDB0003573","HMDB0015130","HMDB0248763","HMDB0000784","HMDB0015107","HMDB0242518","HMDB0248838","HMDB0248924","HMDB0248969","HMDB0249002","HMDB0242697","HMDB0003119","HMDB0249068","HMDB0249074","HMDB0013679","HMDB0000151","HMDB0000043","HMDB0036838","HMDB0030094","HMDB0015465","HMDB0030983","HMDB0000817","HMDB0000030","HMDB0040270","HMDB0032133","HMDB0032737","HMDB0035074","HMDB0249353","HMDB0249406","HMDB0249428","HMDB0041842","HMDB0014633","HMDB0032764","HMDB0014382","HMDB0000039","HMDB0014749","HMDB0032575","HMDB0249477","HMDB0033826","HMDB0014393","HMDB0035710","HMDB0003501","HMDB0001847","HMDB0242363","HMDB0011634","HMDB0038631","HMDB0245658","HMDB0249581","HMDB0003154","HMDB0002227","HMDB0031769","HMDB0249673","HMDB0014539","HMDB0030658","HMDB0002121","HMDB0014971","HMDB0005014","HMDB0014707","HMDB0249813","HMDB0004948","HMDB0259783","HMDB0062702","HMDB0014589","HMDB0250088","HMDB0250096","HMDB0003164","HMDB0015018","HMDB0015369","HMDB0250138","HMDB0014455","HMDB0014500","HMDB0002394","HMDB0000067","HMDB0250194","HMDB0250217","HMDB0014513","HMDB0250254","HMDB0014965","HMDB0014677","HMDB0060038","HMDB0033022","HMDB0002068","HMDB0000072","HMDB0041857","HMDB0250319","HMDB0014983","HMDB0014507","HMDB0015043","HMDB0006709","HMDB0250436","HMDB0141782","HMDB0250451","HMDB0001547","HMDB0257139","HMDB0250496","HMDB0000064","HMDB0000562","HMDB0250537","HMDB0015138","HMDB0014550","HMDB0034927","HMDB0034695","HMDB0250581","HMDB0002214","HMDB0002269","HMDB0250608","HMDB0250618","HMDB0001314","HMDB0250657","HMDB0250664","HMDB0259524","HMDB0250696","HMDB0240227","HMDB0303991","HMDB0000089","HMDB0011691","HMDB0001413","HMDB0250718","HMDB0000630","HMDB0001310","HMDB0012208","HMDB0001254","HMDB0001401","HMDB0006355","HMDB0003423","HMDB0001530","HMDB0304312","HMDB0001498","HMDB0003374","HMDB0244230","HMDB0000098","HMDB0003312","HMDB0255779","HMDB0250881","HMDB0006543","HMDB0259665","HMDB0250942","HMDB0250984","HMDB0037571","HMDB0000101","HMDB0251003","HMDB0036156","HMDB00013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