Year: 2017

Common NameN-methylphenylalanineDescriptionnot foundStructure MOLSDF3D-SDFPDBSMILESInChI View 3D StructureStructure for HMDB29224 (N-methylphenylalanine)SynonymsNot AvailableChemical FormliaC10H13NO2Average Molecliar Weight179.2157Monoisotopic Molecliar Weight179.094628665IUPAC Name2-(methylamino)-3-phenylpropanoic acidTraditional NamephenylalaninenmethylCAS Registry NumberNot AvailableSMILESCNC(CC1=CC=CC=C1)C(O)=OInChI IdentifierInChI=1S/C10H13NO2/c1-11-9(10(12)13)7-8-5-3-2-4-6-8/h2-6,9,11H,7H2,1H3,(H,12,13)InChI KeySCIFESDRCALIIM-UHFFFAOYSA-NChemical TaxonomyDescriptionThis compound belongs to the class…

Common Namealpha-MethylphenylalanineDescriptionAlpha-methylphenylalanine is a tyrosine hydroxylase inhibitor. It reduces the responses of heart to sympathomimetic amines and to adrenergic nerve stimliation.Structure MOLSDF3D-SDFPDBSMILESInChI View 3D StructureStructure for HMDB29223 (alpha-Methylphenylalanine)SynonymsNot AvailableChemical FormliaC10H13NO2Average…

Common NameUrolithin A-3-O-glucuronideDescriptionUrolithin A glucuronide is a biomarker of nut consumption in urine.Structure MOLSDFPDBSMILESInChIStructure for HMDB29222 (Urolithin A-3-O-glucuronide)SynonymsValueSourceUrolithin a-O-glucuronideHMDBChemical FormliaC19H16O10Average Molecliar Weight404.3243Monoisotopic Molecliar Weight404.074346732IUPAC Name3,4,5-trihydroxy-6-({8-hydroxy-6-oxo-6H-benzo[c]chromen-3-yl}oxy)oxane-2-carboxylic acidTraditional Name3,4,5-trihydroxy-6-({8-hydroxy-6-oxobenzo[c]chromen-3-yl}oxy)oxane-2-carboxylic acidCAS Registry NumberNot…

Common NamelysoPC(28:1(5Z))DescriptionNot AvailableStructure MOLSDFPDBSMILESInChIStructure for HMDB29221 (lysoPC(28:1(5Z)))SynonymsValueSourceLysoPC a C28:1HMDBChemical FormliaC36H72NO7PAverage Molecliar Weight661.9331Monoisotopic Molecliar Weight661.504640175IUPAC Name(2-{[(2R)-2-hydroxy-3-[(5E)-octacos-5-enoyloxy]propyl phosphonato]oxy}ethyl)trimethylazaniumTraditional Name(2-{[(2R)-2-hydroxy-3-[(5E)-octacos-5-enoyloxy]propyl phosphonato]oxy}ethyl)trimethylazaniumCAS Registry NumberNot AvailableSMILESCCCCCCCCCCCCCCCCCCCCCCC=CCCCC(=O)OC[C@@H](O)COP([O-])(=O)OCC[N+](C)(C)CInChI IdentifierInChI=1S/C36H72NO7P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-36(39)42-33-35(38)34-44-45(40,41)43-32-31-37(2,3)4/h26-27,35,38H,5-25,28-34H2,1-4H3/b27-26+/t35-/m1/s1InChI KeyVCXKVGMRVJRCIV-XRKADIMJSA-NChemical TaxonomyDescriptionThis compound belongs to the class of…

Common NamelysoPC(26:1(5Z))DescriptionNot AvailableStructure MOLSDFPDBSMILESInChIStructure for HMDB29220 (lysoPC(26:1(5Z)))SynonymsValueSourceLysoPC a C26:1HMDBChemical FormliaC34H68NO7PAverage Molecliar Weight633.88Monoisotopic Molecliar Weight633.473340047IUPAC Name(2-{[(2R)-3-[(5E)-hexacos-5-enoyloxy]-2-hydroxypropyl phosphonato]oxy}ethyl)trimethylazaniumTraditional Name(2-{[(2R)-3-[(5E)-hexacos-5-enoyloxy]-2-hydroxypropyl phosphonato]oxy}ethyl)trimethylazaniumCAS Registry NumberNot AvailableSMILESCCCCCCCCCCCCCCCCCCCCC=CCCCC(=O)OC[C@@H](O)COP([O-])(=O)OCC[N+](C)(C)CInChI IdentifierInChI=1S/C34H68NO7P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-34(37)40-31-33(36)32-42-43(38,39)41-30-29-35(2,3)4/h24-25,33,36H,5-23,26-32H2,1-4H3/b25-24+/t33-/m1/s1InChI KeyHHNUOPXCCKOIPL-VTFFUMFSSA-NChemical TaxonomyDescriptionThis compound belongs to the class of…

Common NameUrolithin DDescriptionUrolithin D is a biomarker of nut consumption in urine.Structure MOLSDF3D-SDFPDBSMILESInChI View 3D StructureStructure for HMDB29219 (Urolithin D)SynonymsValueSourceUrolithin-DHMDBChemical FormliaC13H8O6Average Molecliar Weight260.199Monoisotopic Molecliar Weight260.032087988IUPAC Name3,4,8,9-tetrahydroxy-6H-benzo[c]chromen-6-oneTraditional Name3,4,8,9-tetrahydroxybenzo[c]chromen-6-oneCAS Registry NumberNot AvailableSMILESOC1=CC2=C(C=C1O)C1=CC=C(O)C(O)=C1OC2=OInChI…

Common NameUrolithin CDescriptionUrolithin C is a biomarker of nut consumption in urine.Structure MOLSDF3D-SDFPDBSMILESInChI View 3D StructureStructure for HMDB29218 (Urolithin C)SynonymsValueSourceUrolithin-CHMDBChemical FormliaC13H8O5Average Molecliar Weight244.1996Monoisotopic Molecliar Weight244.037173366IUPAC Name3,8,9-trihydroxy-6H-benzo[c]chromen-6-oneTraditional Name3,8,9-trihydroxybenzo[c]chromen-6-oneCAS Registry NumberNot AvailableSMILESOC1=CC2=C(C=C1)C1=C(C=C(O)C(O)=C1)C(=O)O2InChI…

Common NameTyrosine methylesterDescriptionNot AvailableStructure MOLSDF3D-SDFPDBSMILESInChI View 3D StructureStructure for HMDB29217 (Tyrosine methylester)SynonymsValueSource2-amino-3-(4-Hydroxy-phenyl)-propionic acid methyl esterChEBIL-Tyrosine methyl esterChEBITyr-omeChEBITyrosine methyl esterChEBI2-amino-3-(4-Hydroxy-phenyl)-propionate methyl esterGeneratorTyrosine methyl ester hydrochloride, (D)-isomerMeSHTyrosine methyl ester hydrochloride, (L)-isomerMeSHChemical FormliaC10H13NO3Average…

Common NameSM C16:1DescriptionNot AvailableStructure MOLSDFPDBSMILESInChIStructure for HMDB29216 (SM C16:1)SynonymsNot AvailableChemical FormliaC40H80N2O6PAverage Molecliar Weight716.0468Monoisotopic Molecliar Weight715.575399814IUPAC Name{[(2S,3R,11E)-2-[(9E)-hexadec-9-enamido]-3-hydroxynonadec-11-en-1-yl]oxy}[2-(trimethylazaniumyl)ethoxy]phosphinic acidTraditional Name[(2S,3R,11E)-2-[(9E)-hexadec-9-enamido]-3-hydroxynonadec-11-en-1-yl]oxy(2-(trimethylammonio)ethoxy)phosphinic acidCAS Registry NumberNot AvailableSMILESCCCCCCCC=CCCCCCCC[C@@H](O)[C@H](COP(O)(=O)OCC[N+](C)(C)C)NC(=O)CCCCCCCC=CCCCCCCInChI IdentifierInChI=1S/C40H79N2O6P/c1-6-8-10-12-14-16-18-20-22-23-25-27-29-31-33-39(43)38(37-48-49(45,46)47-36-35-42(3,4)5)41-40(44)34-32-30-28-26-24-21-19-17-15-13-11-9-7-2/h17-20,38-39,43H,6-16,21-37H2,1-5H3,(H-,41,44,45,46)/p+1/b19-17+,20-18+/t38-,39+/m0/s1InChI KeyZKIVREDSEABFBU-NDBDZNEVSA-OChemical TaxonomyDescriptionThis compound belongs to the class…

Common NameThoriumDescriptionThorium is a natural radioactive chemical element with the symbol Th and atomic number 90. In nature, virtually all thorium is found as thorium-232, and it decays by emitting…