4-Thialysine
Common Name4-ThialysineDescriptionS-Aminoethyl-L-cysteine, also known as thialysine, is a toxic analog of the amino acid lysine in which the second carbon of the amino acids R-group (side chain) has been replaced…
3-O-Methyl-(-)-epicatechin-7-O-sulphate
Common Name3-O-Methyl-(-)-epicatechin-7-O-sliphateDescription3-O-Methyl-(-)-epicatechin-7-O-sliphate is an urinary and gut-derived metabolite of epicatechin.Structure MOLSDFPDBSMILESInChIStructure for HMDB29177 (3'-O-Methyl-(-)-epicatechin-7-O-sliphate)SynonymsNot AvailableChemical FormliaC16H15O8SAverage Molecliar Weight367.351Monoisotopic Molecliar Weight367.048763146IUPAC Name(2R,3R)-3,5-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-3,4-dihydro-2H-1-benzopyran-7-yl slifiteTraditional Name(2R,3R)-3,5-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-3,4-dihydro-2H-1-benzopyran-7-yl slifiteCAS Registry NumberNot AvailableSMILESCOC1=CC(=CC=C1O)[C@H]1OC2=C(C[C@H]1O)C(O)=CC(OS([O-])=O)=C2InChI IdentifierInChI=1S/C16H16O8S/c1-22-15-4-8(2-3-11(15)17)16-13(19)7-10-12(18)5-9(24-25(20)21)6-14(10)23-16/h2-6,13,16-19H,7H2,1H3,(H,20,21)/p-1/t13-,16-/m1/s1InChI KeyHWSSTYCNIRKMBH-CZUORRHYSA-MChemical TaxonomyClassificationNot…
3-O-Methyl-(-)-epicatechin-5-O-sulphate
Common Name3-O-Methyl-(-)-epicatechin-5-O-sliphateDescription3-O-Methyl-(-)-epicatechin-5-O-sliphate is an urinary and gut-derived metabolite of epicatechin.Structure MOLSDFPDBSMILESInChIStructure for HMDB29176 (3'-O-Methyl-(-)-epicatechin-5-O-sliphate)SynonymsNot AvailableChemical FormliaC16H15O7SAverage Molecliar Weight351.351Monoisotopic Molecliar Weight351.053848524IUPAC Name(2R,3R)-3,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-3,4-dihydro-2H-1-benzopyran-5-slifinateTraditional Name(2R,3R)-3,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-3,4-dihydro-2H-1-benzopyran-5-slifinateCAS Registry NumberNot AvailableSMILESCOC1=CC(=CC=C1O)[C@H]1OC2=C(C[C@H]1O)C(=CC(O)=C2)S([O-])=OInChI IdentifierInChI=1S/C16H16O7S/c1-22-14-4-8(2-3-11(14)18)16-12(19)7-10-13(23-16)5-9(17)6-15(10)24(20)21/h2-6,12,16-19H,7H2,1H3,(H,20,21)/p-1/t12-,16-/m1/s1InChI KeyOMVRUQZBAZIVBR-MLGOLLRUSA-MChemical TaxonomyDescriptionThis compound belongs…
3-O-methyl-(-)-epicatechin
Common Name3-O-methyl-(-)-epicatechinDescription3-O-methyl-(-)-epicatechin is an urinary and gut-derived metabolite of epicatechin.Structure MOLSDF3D-SDFPDBSMILESInChI View 3D StructureStructure for HMDB29175 (3'-O-methyl-(-)-epicatechin)SynonymsValueSource3'-O-MethylepicatechinMeSHChemical FormliaC16H16O6Average Molecliar Weight304.2946Monoisotopic Molecliar Weight304.094688244IUPAC Name(2R,3R)-2-(4-hydroxy-3-methoxyphenyl)-3,4-dihydro-2H-1-benzopyran-3,5,7-triolTraditional NamesymplocosidinCAS Registry NumberNot AvailableSMILESCOC1=CC(=CC=C1O)[C@H]1OC2=C(C[C@H]1O)C(O)=CC(O)=C2InChI IdentifierInChI=1S/C16H16O6/c1-21-15-4-8(2-3-11(15)18)16-13(20)7-10-12(19)5-9(17)6-14(10)22-16/h2-6,13,16-20H,7H2,1H3/t13-,16-/m1/s1InChI KeyNJHJXXLBWQXMRO-CZUORRHYSA-NChemical TaxonomyDescriptionThis…
3-Sn-phosphatidylethanolamine
Common Name3-Sn-phosphatidylethanolamineDescription3-Sn-phosphatidylethanolamine is a major structural phospholipid found in the brain, primarily in gray matter.Structure MOLSDFPDBSMILESInChIStructure for HMDB29174 (3-Sn-phosphatidylethanolamine)SynonymsValueSource2-Azaniumylethyl [(2R)-3-octadecanoyloxy-2-tetradecanoyloxypropyl] phosphateHMDB3PEHMDBChemical FormliaC37H74NO8PAverage Molecliar Weight691.9591Monoisotopic Molecliar Weight691.515204861IUPAC Namehydrogeniylium(2-{[3-(octadecanoyloxy)-2-(tetradecanoyloxy)propyl phosphonato]oxy}ethyl)aminylTraditional Namehydrogeniylium(2-{[3-(octadecanoyloxy)-2-(tetradecanoyloxy)propyl phosphonato]oxy}ethyl)aminylCAS…
3-keto-2-Methylbutyrate
Common Name3-keto-2-MethylbutyrateDescription3-keto-2-methylbutyrate found in urine can be used as a key for the diagnosis of beta-ketothiolase deficiency.Structure MOLSDF3D-SDFPDBSMILESInChI View 3D StructureStructure for HMDB29172 (3-keto-2-Methylbutyrate)SynonymsValueSource2-Methyl-3-oxobutyrateChEBI2-Methyl-3-oxobutyric acidGenerator3-keto-2-Methylbutyric acidGenerator2-MethylacetoacetateHMDBChemical FormliaC5H7O3Average Molecliar Weight115.1073Monoisotopic Molecliar…
3-Hydroxyadipic acid 3,6-lactone
Common Name3-Hydroxyadipic acid 3,6-lactoneDescription3-hydroxyadipic acid 3,6-lactone is an urinary organic acid. Its level in urine is markedly increased during fasting and in some forms of dicarboxylic aciduria. (PMID: 2739576 )Structure…
3-Hydroxy-4-methoxymandelate
Common Name3-Hydroxy-4-methoxymandelateDescription3-hydroxy-4-methoxymandelate is an urinary organic acid used to screen for inherited metabolic diseases.Structure MOLSDF3D-SDFPDBSMILESInChI View 3D StructureStructure for HMDB29170 (3-Hydroxy-4-methoxymandelate)SynonymsNot AvailableChemical FormliaC9H10O5Average Molecliar Weight198.1727Monoisotopic Molecliar Weight198.05282343IUPAC Name(2R)-2-hydroxy-2-(3-hydroxy-4-methoxyphenyl)acetic acidTraditional Name(R)-hydroxy(3-hydroxy-4-methoxyphenyl)acetic…
3-Hydroxy-2-methylglutarate
Common Name3-Hydroxy-2-methylglutarateDescriptionnot foundStructure MOLSDF3D-SDFPDBSMILESInChI View 3D StructureStructure for HMDB29169 (3-Hydroxy-2-methylglutarate)SynonymsValueSource3-Hydroxy-2-methylglutaric acidHMDBChemical FormliaC7H12O5Average Molecliar Weight176.1672Monoisotopic Molecliar Weight176.068473494IUPAC Name2-ethyl-3-hydroxypentanedioic acidTraditional Name2-ethyl-3-hydroxypentanedioic acidCAS Registry NumberNot AvailableSMILESCCC(C(O)CC(O)=O)C(O)=OInChI IdentifierInChI=1S/C7H12O5/c1-2-4(7(11)12)5(8)3-6(9)10/h4-5,8H,2-3H2,1H3,(H,9,10)(H,11,12)InChI KeyWOBKEWPFNDXDDF-UHFFFAOYSA-NChemical TaxonomyDescriptionThis compound belongs to the…
3-Aminocaproic acid
Common Name3-Aminocaproic acidDescriptionnot foundStructure MOLSDF3D-SDFPDBSMILESInChI View 3D StructureStructure for HMDB29168 (3-Aminocaproic acid)SynonymsValueSource3-AminocaproateHMDBChemical FormliaC6H13NO2Average Molecliar Weight131.1729Monoisotopic Molecliar Weight131.094628665IUPAC Name3-aminohexanoic acidTraditional Name3-aminohexanoic acidCAS Registry NumberNot AvailableSMILESCCCC(N)CC(O)=OInChI IdentifierInChI=1S/C6H13NO2/c1-2-3-5(7)4-6(8)9/h5H,2-4,7H2,1H3,(H,8,9)InChI KeyYIJFIIXHVSHQEN-UHFFFAOYSA-NChemical TaxonomyDescriptionThis compound belongs to…