Year: 2017

Common NamelysoPC(6:0)DescriptionNot AvailableStructure MOLSDF3D-SDFPDBSMILESInChI View 3D StructureStructure for HMDB29207 (lysoPC(6:0))SynonymsValueSource1-Caproyl-sn-glycero-3-phosphocholineChEBILPC 6:0/0:0ChEBILPC(6:0/0:0)ChEBIPC(6:0/0:0)ChEBILysoPC a C6:0HMDBChemical FormliaC14H30NO7PAverage Molecliar Weight355.3643Monoisotopic Molecliar Weight355.175988831IUPAC Name(2-{[(2R)-3-(hexanoyloxy)-2-hydroxypropyl phosphonato]oxy}ethyl)trimethylazaniumTraditional Name(2-{[(2R)-3-(hexanoyloxy)-2-hydroxypropyl phosphonato]oxy}ethyl)trimethylazaniumCAS Registry NumberNot AvailableSMILES[H][C@@](O)(COC(=O)CCCCC)COP([O-])(=O)OCC[N+](C)(C)CInChI IdentifierInChI=1S/C14H30NO7P/c1-5-6-7-8-14(17)20-11-13(16)12-22-23(18,19)21-10-9-15(2,3)4/h13,16H,5-12H2,1-4H3/t13-/m1/s1InChI KeyWDNDPXJAUNUOFK-CYBMUJFWSA-NChemical TaxonomyDescriptionThis compound belongs…

Common NamelysoPC(28:0)DescriptionNot AvailableStructure MOLSDFPDBSMILESInChIStructure for HMDB29206 (lysoPC(28:0))SynonymsValueSourceLysoPC a C28:0HMDBChemical FormliaC36H74NO7PAverage Molecliar Weight663.949Monoisotopic Molecliar Weight663.520290239IUPAC Name(2-{[(2R)-2-hydroxy-3-(octacosanoyloxy)propyl phosphonato]oxy}ethyl)trimethylazaniumTraditional Name(2-{[(2R)-2-hydroxy-3-(octacosanoyloxy)propyl phosphonato]oxy}ethyl)trimethylazaniumCAS Registry NumberNot AvailableSMILES[H][C@@](O)(COC(=O)CCCCCCCCCCCCCCCCCCCCCCCCCCC)COP([O-])(=O)OCC[N+](C)(C)CInChI IdentifierInChI=1S/C36H74NO7P/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/h35,38H,5-34H2,1-4H3/t35-/m1/s1InChI KeyVPAMUPUPKCTFGJ-PGUFJCEWSA-NChemical TaxonomyDescriptionThis compound belongs to the class of…

Common NamelysoPC(26:0)DescriptionNot AvailableStructure MOLSDFPDBSMILESInChIStructure for HMDB29205 (lysoPC(26:0))SynonymsValueSourceLysoPC a C26:0HMDBChemical FormliaC34H70NO7PAverage Molecliar Weight635.8959Monoisotopic Molecliar Weight635.488990111IUPAC Name(2-{[(2R)-3-(hexacosanoyloxy)-2-hydroxypropyl phosphonato]oxy}ethyl)trimethylazaniumTraditional Name(2-{[(2R)-3-(hexacosanoyloxy)-2-hydroxypropyl phosphonato]oxy}ethyl)trimethylazaniumCAS Registry NumberNot AvailableSMILES[H][C@@](O)(COC(=O)CCCCCCCCCCCCCCCCCCCCCCCCC)COP([O-])(=O)OCC[N+](C)(C)CInChI IdentifierInChI=1S/C34H70NO7P/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/h33,36H,5-32H2,1-4H3/t33-/m1/s1InChI KeyWSDKRPCAPHRNNZ-MGBGTMOVSA-NChemical TaxonomyDescriptionThis compound belongs to the class of…

Common Namehesperetin-7-O-glucuronideDescriptionhesperetin-7-O-glucuronide is metabolite of the citrus fruit hesperitin. Structure MOLSDFPDBSMILESInChIStructure for HMDB29203 (hesperetin-7-O-glucuronide)SynonymsNot AvailableChemical FormliaC21H22O12Average Molecliar Weight466.3922Monoisotopic Molecliar Weight466.111126168IUPAC Name3,4,5-trihydroxy-6-{[8-hydroxy-3-(3-hydroxy-4-methoxyphenyl)-2,3-dihydro-1,4-benzodioxin-6-yl]oxy}oxane-2-carboxylic acidTraditional Name3,4,5-trihydroxy-6-{[8-hydroxy-3-(3-hydroxy-4-methoxyphenyl)-2,3-dihydro-1,4-benzodioxin-6-yl]oxy}oxane-2-carboxylic acidCAS Registry NumberNot AvailableSMILESCOC1=CC=C(C=C1O)C1COC2=C(O)C=C(OC3OC(C(O)C(O)C3O)C(O)=O)C=C2O1InChI IdentifierInChI=1S/C21H22O12/c1-29-12-3-2-8(4-10(12)22)14-7-30-18-11(23)5-9(6-13(18)32-14)31-21-17(26)15(24)16(25)19(33-21)20(27)28/h2-6,14-17,19,21-26H,7H2,1H3,(H,27,28)InChI KeyPLNORHFXCFFTRD-UHFFFAOYSA-NChemical TaxonomyDescriptionThis…

Common Namehesperetin 3-O-slifateDescriptionHesperetin 3-O-slifate is an orange/orange juice metabolite in urine.Structure MOLSDFPDBSMILESInChIStructure for HMDB29202 (hesperetin 3'-O-slifate)SynonymsNot AvailableChemical FormliaC16H14O9SAverage Molecliar Weight382.342Monoisotopic Molecliar Weight382.035852736IUPAC Name[5-(5,7-dihydroxy-4-oxo-3,4-dihydro-2H-1-benzopyran-2-yl)-2-methoxyphenyl]oxidaneslifonic acidTraditional Name[5-(5,7-dihydroxy-4-oxo-2,3-dihydro-1-benzopyran-2-yl)-2-methoxyphenyl]oxidaneslifonic acidCAS Registry NumberNot AvailableSMILESCOC1=CC=C(C=C1OS(O)(=O)=O)C1CC(=O)C2=C(O1)C=C(O)C=C2OInChI IdentifierInChI=1S/C16H14O9S/c1-23-12-3-2-8(4-14(12)25-26(20,21)22)13-7-11(19)16-10(18)5-9(17)6-15(16)24-13/h2-6,13,17-18H,7H2,1H3,(H,20,21,22)InChI…

Common NameHafniumDescriptionHafnium is a chemical element with the symbol Hf and atomic number 72. Hafnium is used in filaments and electrodes. Some semiconductor fabrication processes use its oxide for integrated…

Common NameFerliic acid 4-slifateDescriptionFerliic acid slifate is an coffee metabolite found in blood or urine.Structure MOLSDF3D-SDFPDBSMILESInChI View 3D StructureStructure for HMDB29200 (Ferliic acid 4-slifate)SynonymsValueSourceFerliic acid slifateChEBIFerliate slifateGeneratorFerliate sliphateGeneratorFerliic acid slifuric…

Common NameFertaric acidDescriptionFertaric acid is a the ester of tartaric acid and the phenolic acid ferliic acid, a type of polyphenol. Polyphenol are secondary plant metabolites and components of grapes,…

Common NameDimethylureaDescriptionDimethylurea (DMU) (IUPAC systematic name: 1,3-Dimethylurea ) is a urea derivative and used as an intermediate in organic synthesis. It is a colorless crystalline powder with little toxicity.Structure MOLSDF3D-SDFPDBSMILESInChI…

Common NameD-FucoseDescriptionNot AvailableStructure MOLSDF3D-SDFPDBSMILESInChI View 3D StructureStructure for HMDB29196 (D-Fucose)SynonymsValueSourcealpha-D-FucChEBIalpha-D-FucpChEBIa-D-FucGeneratorα-D-fucGeneratora-D-FucpGeneratorα-D-fucpGenerator6-Deoxy-D-galactopyranoseHMDB6-Deoxy-D-galactoseHMDBD-FucopyranoseHMDBChemical FormliaC6H12O5Average Molecliar Weight164.1565Monoisotopic Molecliar Weight164.068473494IUPAC Name(2S,3R,4S,5R,6R)-6-methyloxane-2,3,4,5-tetrolTraditional Nameα-d-fucoseCAS Registry NumberNot AvailableSMILESC[C@H]1O[C@H](O)[C@H](O)[C@@H](O)[C@H]1OInChI IdentifierInChI=1S/C6H12O5/c1-2-3(7)4(8)5(9)6(10)11-2/h2-10H,1H3/t2-,3+,4+,5-,6+/m1/s1InChI KeySHZGCJCMOBCMKK-PHYPRBDBSA-NChemical TaxonomyDescriptionThis compound belongs to the class of chemical…