MetStat: Summary table of metabolites most frequently reported in NMDR studies
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| Refmet Name | Studies | Super Class | Main Class | Sub Class |
|---|---|---|---|---|
| 10,11-DiHDPE | 2 | Fatty Acyls | Docosanoids | Docosanoids |
| 10,11-Dimethoxytubulosan | 1 | Alkaloids | Tryptophan alkaloids | Carboline alkaloids |
| 10(11)-EpDPE | 3 | Fatty Acyls | Docosanoids | Docosanoids |
| 10,11-Epoxy-chlorovulone I | 1 | Fatty Acyls | Eicosanoids | Clavulones |
| 10,12,15-Octadecatrienoic acid | 2 | Fatty Acyls | Fatty acids | Unsaturated FA |
| 10,22-Dimethyldotriacontane | 1 | Fatty Acyls | Hydrocarbons | Hydrocarbons |
| 10-Deacetyl-2-debenzoylbaccatin III | 4 | Prenol Lipids | Isoprenoids | Other Isoprenoids |
| 10-Deoxymethynolide | 3 | Polyketides | Macrolides | Macrolides |
| 10-HDoHE | 12 | Fatty Acyls | Docosanoids | Docosanoids |
| 10-Hendecenoic acid | 48 | Fatty Acyls | Fatty acids | Unsaturated FA |
| 10-Hydroxy-11-dodecenoic acid | 1 | Fatty Acyls | Fatty acids | Hydroxy FA |
| 10-Hydroxydecanoic acid | 96 | Fatty Acyls | Fatty acids | Hydroxy FA |
| 10-Hydroxydihydrosanguinarine | 1 | Alkaloids | Tyrosine alkaloids | Benzophenanthridine alkaloids |
| 10-Methyl-heptadecanoic acid | 1 | Fatty Acyls | Fatty acids | Branched FA |
| 10-Methyl-hexadecanoic acid | 3 | Fatty Acyls | Fatty acids | Branched FA |
| 10-Nitrolinoleic acid | 13 | Fatty Acyls | Fatty acids | Nitro FA |
| 10-Nitrooleic acid | 16 | Fatty Acyls | Fatty acids | Nitro FA |
| 10-Oxodecanoic acid | 7 | Fatty Acyls | Fatty acids | Oxo FA |
| 10-Propargyl-5,8-dideazafolic acid | 3 | Organic acids | Amino acids and peptides | Amino acids |
| 10S,17S-DiHDoHE | 3 | Fatty Acyls | Docosanoids | Docosanoids |
| 10Z,13Z,16Z-Docosatrienoic acid | 1 | Fatty Acyls | Fatty acids | Unsaturated FA |
| 10Z-Heptadecenoic acid | 80 | Fatty Acyls | Fatty acids | Unsaturated FA |
| 11,12,13-TriHOME | 1 | Fatty Acyls | Octadecanoids | TriHOME |
| 11,12-DiHETE | 2 | Fatty Acyls | Eicosanoids | HETE |
| 11,12-DiHETrE | 51 | Fatty Acyls | Eicosanoids | HETrE |
| 11(12)-EpETE | 13 | Fatty Acyls | Eicosanoids | Other Eicosanoids |
| 11,12-EpETrE | 48 | Fatty Acyls | Eicosanoids | EpETrE |
| 1,1,1-Trichloro-2,2-bis(4-hydroxyphenyl)ethane | 1 | Benzenoids | Benzenes | Diphenylmethanes |
| 1,13-Tetradecadien-3-one | 1 | Fatty Acyls | Hydrocarbons | Oxygenated hydrocarbons |
| 11alpha-Hydroxyprogesterone | 6 | Sterol Lipids | Steroids | C21 Steroids |
| 11-Aminoundecanoic acid | 27 | Fatty Acyls | Fatty acids | Amino FA |
| 11beta,20-Dihydroxy-3-oxopregn-4-en-21-oic acid | 2 | Sterol Lipids | Steroids | C21 Steroids |
| 11beta,21-Dihydroxy-5beta-pregnane-3,20-dione | 6 | Sterol Lipids | Steroids | C21 Steroids |
| 11beta-Hydroxy-3,20-dioxopregn-4-en-21-oic acid | 1 | Sterol Lipids | Steroids | C21 Steroids |
| 11beta-Hydroxyandrost-4-ene-3,17-dione | 13 | Sterol Lipids | Steroids | C19 Steroids |
| 11beta-Hydroxyandrosterone-3-glucuronide | 4 | Sterol Lipids | Steroids | C19 Steroids |
| 11beta-Hydroxyprogesterone | 4 | Sterol Lipids | Steroids | C21 Steroids |
| 11beta-PGE2 | 3 | Fatty Acyls | Eicosanoids | Prostaglandins |
| 11-Chloro-8e,10e-undecadien-1-ol | 2 | Fatty Acyls | Fatty alcohols | Fatty alcohols |
| 11-cis-Retinol | 4 | Prenol Lipids | Isoprenoids | Retinoids |
| 11-Dehydro-2,3-dinor-TXB2 | 3 | Fatty Acyls | Eicosanoids | Thromboxanes |
| 11-Dehydrocorticosterone | 10 | Sterol Lipids | Steroids | C21 Steroids |
| 11-Dehydro-TXB2 | 10 | Fatty Acyls | Eicosanoids | Thromboxanes |
| 11-Dehydro-TXB3 | 1 | Fatty Acyls | Eicosanoids | Thromboxanes |
| 11-Deoxocucurbitacin I | 1 | Prenol Lipids | Isoprenoids | C30 isoprenoids |
| 11-Deoxy-11-methylene-15-keto-PGD2 | 2 | Fatty Acyls | Eicosanoids | Prostaglandins |
| 11-Deoxy-16,16-dimethyl-PGE2 | 3 | Fatty Acyls | Eicosanoids | Prostaglandins |
| 11-Deoxycorticosterone | 24 | Sterol Lipids | Steroids | C21 Steroids |
| 11-Deoxycortisol | 40 | Sterol Lipids | Steroids | C21 Steroids |
| 11-Deoxy-PGE2 | 3 | Fatty Acyls | Eicosanoids | Prostaglandins |
| 1,1-dimethyl-3-phenyl-urea | 2 | Benzenoids | Benzenes | N-phenylureas |
| 1,1-Dimethyl-4-phenylpiperazinium iodide | 1 | Organoheterocyclic compounds | Piperazines | Piperazines |
| 11-HDoHE | 16 | Fatty Acyls | Docosanoids | Docosanoids |
| 11-HEPE | 9 | Fatty Acyls | Eicosanoids | HEPE |
| 11-HETE | 51 | Fatty Acyls | Eicosanoids | HETE |
| 11-HpETE | 4 | Fatty Acyls | Eicosanoids | HETE |
| 11-Hydroxy-9,10-dihydrojasmonic acid | 3 | Fatty Acyls | Octadecanoids | Jasmonic acids |
| 11-Hydroxy-9-tridecenoic acid | 1 | Fatty Acyls | Fatty acids | Unsaturated FA |
| 11-Hydroxy palmitic acid | 1 | Fatty Acyls | Fatty acids | Hydroxy FA |
| 11-Hydroxystearic acid | 1 | Fatty Acyls | Octadecanoids | HODA |
| 11-Ketoetiocholanolone | 2 | Sterol Lipids | Steroids | C19 Steroids |
| 11-Oxo-androsterone glucuronide | 1 | Sterol Lipids | Steroids | C19 Steroids |
| 11R-HEDE | 2 | Fatty Acyls | Eicosanoids | Other Eicosanoids |
| 11R-HETE | 2 | Fatty Acyls | Eicosanoids | HETE |
| 11R-HpETE | 1 | Fatty Acyls | Eicosanoids | HETE |
| 11S,12R-EpETrE | 1 | Fatty Acyls | Eicosanoids | EpETrE |
| 11S-HEPE | 1 | Fatty Acyls | Eicosanoids | HEPE |
| 11S-HETE | 4 | Fatty Acyls | Eicosanoids | HETE |
| 11-trans-LTC4 | 1 | Fatty Acyls | Eicosanoids | Leukotrienes |
| 11Z,14Z,17Z-Eicosatrienoyl-EA | 4 | Fatty Acyls | Fatty amides | NAE |
| 11Z,14Z-Eicosadienoic acid | 116 | Fatty Acyls | Fatty acids | Unsaturated FA |
| 11Z-Eicosaenoyl-EA | 18 | Fatty Acyls | Fatty amides | NAE |
| 11Z-Eicosenoyl-CoA | 1 | Fatty Acyls | Fatty esters | Acyl CoAs |
| 11Z-Tetradecenoyl-CoA | 1 | Fatty Acyls | Fatty esters | Acyl CoAs |
| 12,13-DiHODE | 10 | Fatty Acyls | Octadecanoids | DiHODE |
| 12,13-DiHOME | 120 | Fatty Acyls | Octadecanoids | DiHOME |
| 12,13-Dihydroxy-11-methoxy-9-octadecenoic acid | 5 | Fatty Acyls | Fatty acids | Methoxy FA |
| 12(13)-EpOME | 44 | Fatty Acyls | Octadecanoids | EpOME |
| 12,13-EpOME(9) | 3 | Fatty Acyls | Octadecanoids | EpOME |
| 12,14-Heptacosadiynoic acid | 1 | Fatty Acyls | Fatty acids | Unsaturated FA |
| 12,14-Pentacosadiynoic acid | 1 | Fatty Acyls | Fatty acids | Unsaturated FA |
| 1,2,3,4-Tetrahydro-beta-carboline-1,3-dicarboxylic acid | 2 | Alkaloids | Tryptophan alkaloids | Carboline alkaloids |
| 1,2,3-Butanetriol | 18 | Organic oxygen compounds | Alcohols and polyols | 1,2-diols |
| 1,2,3-Propanetricarboxylic acid | 55 | Organic acids | Carboxylic acids | Tricarboxylic acids |
| 1,2,3-Trihydroxybenzene | 38 | Benzenoids | Phenols | Benzenetriols |
| 1,2,3-Trimethylbenzene | 1 | Benzenoids | Benzenes | Other benzenes |
| 1,2,4,5-Tetrazine | 1 | Organoheterocyclic compounds | Tetrazines | Tetrazines |
| 1,2,4-Trihydroxybenzene | 37 | Benzenoids | Phenols | Benzenetriols |
| 1,2,4-Trimethylbenzene | 3 | Benzenoids | Benzenes | Other benzenes |
| 12a-Hydroxyerythynone | 2 | Polyketides | Flavonoids | Rotenoids |
| 12alpha-Hydroxy-3-oxochola-4,6-dien-24-oic acid | 2 | Sterol Lipids | Bile acids | C24 Bile acids |
| 12-Aminododecanoic acid | 11 | Fatty Acyls | Fatty amides | Primary amides |
| 1,2-Anhydro-myo-inositol | 19 | Organic oxygen compounds | Alcohols and polyols | Inositols |
| 1,2-Benzisothiazol-3(2H)-one | 8 | Organoheterocyclic compounds | Benzothiazoles | Benzothiazoles |
| 12beta-Hydroxy-3-oxo-5beta-cholan-24-oic acid | 4 | Sterol Lipids | Bile acids | C24 Bile acids |
| 12-Chloro-dodecanoic acid | 2 | Fatty Acyls | Fatty acids | Halogenated FA |
| 1,2-DG 30:0 | 4 | Glycerolipids | Diradylglycerols | DAG |
| 1,2-DG 30:1 | 4 | Glycerolipids | Diradylglycerols | DAG |
| 1,2-DG 30:2 | 1 | Glycerolipids | Diradylglycerols | DAG |
| 1,2-DG 32:0 | 4 | Glycerolipids | Diradylglycerols | DAG |
| 1,2-DG 32:1 | 4 | Glycerolipids | Diradylglycerols | DAG |
| 1,2-DG 32:2 | 4 | Glycerolipids | Diradylglycerols | DAG |
| 1,2-DG 32:3 | 3 | Glycerolipids | Diradylglycerols | DAG |
| 1,2-DG 34:0 | 4 | Glycerolipids | Diradylglycerols | DAG |
| 1,2-DG 34:1 | 4 | Glycerolipids | Diradylglycerols | DAG |
| 1,2-DG 34:2 | 4 | Glycerolipids | Diradylglycerols | DAG |
| 1,2-DG 34:3 | 4 | Glycerolipids | Diradylglycerols | DAG |
| 1,2-DG 34:4 | 3 | Glycerolipids | Diradylglycerols | DAG |
| 1,2-DG 36:0 | 4 | Glycerolipids | Diradylglycerols | DAG |
| 1,2-DG 36:1 | 4 | Glycerolipids | Diradylglycerols | DAG |
| 1,2-DG 36:2 | 4 | Glycerolipids | Diradylglycerols | DAG |
| 1,2-DG 36:3 | 4 | Glycerolipids | Diradylglycerols | DAG |
| 1,2-DG 36:4 | 4 | Glycerolipids | Diradylglycerols | DAG |
| 1,2-DG 36:5 | 4 | Glycerolipids | Diradylglycerols | DAG |
| 1,2-DG 38:0 | 3 | Glycerolipids | Diradylglycerols | DAG |
| 1,2-DG 38:1 | 4 | Glycerolipids | Diradylglycerols | DAG |
| 1,2-DG 38:2 | 4 | Glycerolipids | Diradylglycerols | DAG |
| 1,2-DG 38:3 | 4 | Glycerolipids | Diradylglycerols | DAG |
| 1,2-DG 38:4 | 4 | Glycerolipids | Diradylglycerols | DAG |
| 1,2-DG 38:5 | 4 | Glycerolipids | Diradylglycerols | DAG |
| 1,2-DG 38:6 | 3 | Glycerolipids | Diradylglycerols | DAG |
| 1,2-DG 40:4 | 3 | Glycerolipids | Diradylglycerols | DAG |
| 1,2-DG 40:6 | 3 | Glycerolipids | Diradylglycerols | DAG |
| 1,2-DG 40:7 | 3 | Glycerolipids | Diradylglycerols | DAG |
| 1,2-Dichloroethane | 1 | Organohalogen compounds | Organochlorides | Organochlorides |
| 1,2-Dihydrosantonin | 2 | Prenol Lipids | Isoprenoids | C15 isoprenoids |
| 1,2-Dihydroxy-3-keto-5-methylthiopentene | 12 | Organic oxygen compounds | Carbonyl compounds | Other carbonyl compounds |
| 1,2-Dihydroxydibenzothiophene | 1 | Organoheterocyclic compounds | Benzothiophenes | Dibenzothiophenes |
| 1,2-Dihydroxymint lactone | 2 | Organoheterocyclic compounds | Benzofurans | Benzofurans |
| 12-epi-LTB4 | 5 | Fatty Acyls | Eicosanoids | Leukotrienes |
| 12-HEPE | 47 | Fatty Acyls | Eicosanoids | HEPE |
| 12-HETE | 88 | Fatty Acyls | Eicosanoids | HETE |
| 12-Hydroxy-10-octadecynoic acid | 2 | Fatty Acyls | Octadecanoids | Other Octadecanoids |
| 12-Hydroxyjasmonic acid | 2 | Fatty Acyls | Octadecanoids | Jasmonic acids |
| 12-Hydroxy lauric acid | 85 | Fatty Acyls | Fatty acids | Hydroxy FA |
| 12-Hydroxynevirapine | 1 | Organic nitrogen compounds | Organonitrogen compounds | Other organonitrogen compounds |
| 12-Hydroxy stearic acid | 7 | Fatty Acyls | Octadecanoids | HODA |
| 12-Ketochenodeoxycholic acid | 14 | Sterol Lipids | Bile acids | C24 Bile acids |
| 12-Ketolithocholic acid | 19 | Sterol Lipids | Bile acids | C24 Bile acids |
| 12-Keto-tetrahydro-LTB4 | 4 | Fatty Acyls | Eicosanoids | Leukotrienes |
| 12-Methyl-10-oxotridecanoic acid | 2 | Fatty Acyls | Fatty acids | Oxo FA |
| 12-OPDA | 1 | Fatty Acyls | Octadecanoids | 12-oxophytodienoic acids |
| 12-Oxo-10Z-dodecenoic acid | 4 | Fatty Acyls | Fatty acids | Oxo FA |
| 12-Oxo-9-octadecynoic acid | 4 | Fatty Acyls | Octadecanoids | Other Octadecanoids |
| 12-Oxo-9Z-dodecenoic acid | 1 | Fatty Acyls | Fatty acids | Oxo FA |
| 12-Oxo-ETE | 15 | Fatty Acyls | Eicosanoids | HETE |
| 12-Oxo-LTB4 | 15 | Fatty Acyls | Eicosanoids | Leukotrienes |
| 1,2-Propanediol | 18 | Fatty Acyls | Fatty alcohols | Fatty alcohols |
| 1-(2-Pyrimidyl)piperazine | 5 | Organoheterocyclic compounds | Piperazines | Piperazines |
| 12R-HEPE | 1 | Fatty Acyls | Eicosanoids | HEPE |
| 12R-HETE | 5 | Fatty Acyls | Eicosanoids | HETE |
| 12S,13R-EpOME | 1 | Fatty Acyls | Octadecanoids | EpOME |
| 12S-HEPE | 2 | Fatty Acyls | Eicosanoids | HEPE |
| 12S-HETE | 18 | Fatty Acyls | Eicosanoids | HETE |
| 12S-HETrE | 1 | Fatty Acyls | Eicosanoids | HETrE |
| 12S-HHTrE | 32 | Fatty Acyls | Eicosanoids | HETrE |
| 12S-HpETE | 1 | Fatty Acyls | Eicosanoids | HETE |
| 12S-Hydroxy-16-heptadecynoic acid | 2 | Fatty Acyls | Fatty acids | Hydroxy FA |
| 12-Tridecynoic acid | 1 | Fatty Acyls | Fatty acids | Unsaturated FA |
| 12Z,15Z-Octadecadienoic acid | 2 | Fatty Acyls | Fatty acids | Unsaturated FA |
| 13,14-DiHDPE | 2 | Fatty Acyls | Docosanoids | Docosanoids |
| 13,14-Dihydro-15-keto-PGA2 | 11 | Fatty Acyls | Eicosanoids | Prostaglandins |
| 13,14-Dihydro-15-keto-PGD2 | 15 | Fatty Acyls | Eicosanoids | Prostaglandins |
| 13,14-Dihydro-15-keto-PGE1 | 1 | Fatty Acyls | Eicosanoids | Prostaglandins |
| 13,14-Dihydro-15-keto-PGE2 | 13 | Fatty Acyls | Eicosanoids | Prostaglandins |
| 13,14-Dihydro-15-keto-PGF2alpha | 15 | Fatty Acyls | Eicosanoids | Prostaglandins |
| 13,14-Dihydro-19R-hydroxy-PGE1 | 1 | Fatty Acyls | Eicosanoids | Prostaglandins |
| 13,14-Dihydro-6,15-diketo-PGF1alpha | 6 | Fatty Acyls | Eicosanoids | Prostaglandins |
| 13,14-Dihydro-PGE1 | 8 | Fatty Acyls | Eicosanoids | Prostaglandins |
| 13(14)-EpDPE | 2 | Fatty Acyls | Docosanoids | Docosanoids |
| 13,16,19-Docosatrienoic acid | 36 | Fatty Acyls | Fatty acids | Unsaturated FA |
| 13,16-Docosadienoic acid | 1 | Fatty Acyls | Fatty acids | Unsaturated FA |
| 13,17,21-Trimethyltritriacontane | 1 | Fatty Acyls | Hydrocarbons | Hydrocarbons |
| 13,17-Dimethyl-1-pentatriacontene | 1 | Fatty Acyls | Hydrocarbons | Hydrocarbons |
| 13,17-Dimethyl-1-tritriacontene | 1 | Fatty Acyls | Hydrocarbons | Hydrocarbons |
| 1,3,5-Trichloro-2-methoxybenzene | 2 | Benzenoids | Phenols | Anisoles |
| 1,3,5-Trimethoxybenzene | 15 | Benzenoids | Phenols | Anisoles |
| 1,3,7-Octanetriol | 7 | Fatty Acyls | Fatty alcohols | Fatty alcohols |
| 1,3,7-Trimethyluric acid | 43 | Nucleic acids | Purines | Xanthines |
| 1,3-Butadiene | 1 | Fatty Acyls | Hydrocarbons | Hydrocarbons |
| 13-cis-Retinoic acid | 5 | Prenol Lipids | Isoprenoids | Retinoids |
| 1,3-DG 30:0 | 1 | Glycerolipids | Diradylglycerols | DAG |
| 1,3-DG 30:1 | 1 | Glycerolipids | Diradylglycerols | DAG |
| 1,3-DG 30:2 | 1 | Glycerolipids | Diradylglycerols | DAG |
| 1,3-DG 32:0 | 1 | Glycerolipids | Diradylglycerols | DAG |
| 1,3-DG 32:1 | 1 | Glycerolipids | Diradylglycerols | DAG |
| 1,3-DG 32:2 | 1 | Glycerolipids | Diradylglycerols | DAG |
| 1,3-DG 32:3 | 1 | Glycerolipids | Diradylglycerols | DAG |
| 1,3-DG 34:0 | 1 | Glycerolipids | Diradylglycerols | DAG |
| 1,3-DG 34:1 | 1 | Glycerolipids | Diradylglycerols | DAG |
| 1,3-DG 34:2 | 1 | Glycerolipids | Diradylglycerols | DAG |
| 1,3-DG 34:3 | 1 | Glycerolipids | Diradylglycerols | DAG |
| 1,3-DG 34:4 | 1 | Glycerolipids | Diradylglycerols | DAG |
| 1,3-DG 36:0 | 1 | Glycerolipids | Diradylglycerols | DAG |
| 1,3-DG 36:1 | 1 | Glycerolipids | Diradylglycerols | DAG |
| 1,3-DG 36:2 | 1 | Glycerolipids | Diradylglycerols | DAG |
| 1,3-DG 36:3 | 1 | Glycerolipids | Diradylglycerols | DAG |
| 1,3-DG 36:4 | 1 | Glycerolipids | Diradylglycerols | DAG |
| 1,3-DG 36:5 | 1 | Glycerolipids | Diradylglycerols | DAG |
| 1,3-DG 38:0 | 1 | Glycerolipids | Diradylglycerols | DAG |
