1.0 2016-09-30 23:45:47 UTC 2020-05-21 16:26:16 UTC BMDB0007854 BMDB07854 LPA(18:0/0:0) Lysophosphatidic acid(18:0/0:0) Lysophosphatidic acid(18:0) LPA(18:0) LPA(18:0/0:0) 1-Stearoyl-glycero-3-phosphate 1-Octadecanoyl-glycero-3-phosphate 1-Octadecanoyl-phosphatidic acid C21H43O7P 438.542 438.274640723 [2-hydroxy-3-(octadecanoyloxy)propoxy]phosphonic acid 2-hydroxy-3-(octadecanoyloxy)propoxyphosphonic acid CCCCCCCCCCCCCCCCCC(=O)OCC(O)COP(O)(O)=O InChI=1S/C21H43O7P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(23)27-18-20(22)19-28-29(24,25)26/h20,22H,2-19H2,1H3,(H2,24,25,26) LAYXSTYJRSVXIH-UHFFFAOYSA-N belongs to the class of organic compounds known as 1-acylglycerol-3-phosphates. These are lysophosphatidic acids where the glycerol is esterified with a fatty acid at O-1 position. Organic compounds Lipids and lipid-like molecules Glycerophospholipids Glycerophosphates 1-acylglycerol-3-phosphates Carbonyl compounds Carboxylic acid esters Fatty acid esters Hydrocarbon derivatives Monoalkyl phosphates Monocarboxylic acids and derivatives Organic oxides Secondary alcohols 1-acylglycerol-3-phosphate Alcohol Aliphatic acyclic compound Alkyl phosphate Carbonyl group Carboxylic acid derivative Carboxylic acid ester Fatty acid ester Fatty acyl Hydrocarbon derivative Monoalkyl phosphate Monocarboxylic acid or derivatives Organic oxide Organic oxygen compound Organic phosphoric acid derivative Organooxygen compound Phosphoric acid ester Secondary alcohol Aliphatic acyclic compounds Solid logp 5.01 ALOGPS logs -5.48 ALOGPS logp 5.85 ChemAxon pka_strongest_acidic 1.51 ChemAxon pka_strongest_basic -3.4 ChemAxon iupac [2-hydroxy-3-(octadecanoyloxy)propoxy]phosphonic acid ChemAxon average_mass 438.542 ChemAxon mono_mass 438.274640723 ChemAxon smiles CCCCCCCCCCCCCCCCCC(=O)OCC(O)COP(O)(O)=O ChemAxon formula C21H43O7P ChemAxon inchi InChI=1S/C21H43O7P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(23)27-18-20(22)19-28-29(24,25)26/h20,22H,2-19H2,1H3,(H2,24,25,26) ChemAxon inchikey LAYXSTYJRSVXIH-UHFFFAOYSA-N ChemAxon polar_surface_area 113.29 ChemAxon refractivity 114.18 ChemAxon polarizability 51.46 ChemAxon rotatable_bond_count 22 ChemAxon acceptor_count 5 ChemAxon donor_count 3 ChemAxon physiological_charge -2 ChemAxon formal_charge 0 ChemAxon number_of_rings 0 ChemAxon bioavailability 0 ChemAxon rule_of_five Yes ChemAxon ghose_filter Yes ChemAxon veber_rule Yes ChemAxon mddr_like_rule Yes ChemAxon Specdb::MsMs 2846294 Specdb::MsMs 2846295 Specdb::MsMs 2846296 Specdb::MsMs 2862298 Specdb::MsMs 2862299 Specdb::MsMs 2862300 Specdb::CMs 39410 Specdb::CMs 165105 All Tissues Wishart DS, Feunang YD, Marcu A, Guo AC, Liang K, Vazquez-Fresno R, Sajed T, Johnson D, Li C, Karu N, Sayeeda Z, Lo E, Assempour N, Berjanskii M, Singhal S, Arndt D, Liang Y, Badran H, Grant J, Serra-Cayuela A, Liu Y, Mandal R, Neveu V, Pon A, Knox C, Wilson M, Manach C, Scalbert A: HMDB 4.0: the human metabolome database for 2018. Nucleic Acids Res. 2018 Jan 4;46(D1):D608-D617. doi: 10.1093/nar/gkx1089. 29140435 89567 BMDBP00177 Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 A1A4K5 ENPP2 Enzyme BMDBP00212 Dihydroxyacetone phosphate acyltransferase A4IF87 GNPAT Enzyme BMDBP01572 Lysophosphatidic acid receptor 1 Q28031 LPAR1 Enzyme BMDBP01573 Lysophosphatidic acid receptor 5 Q3ZC80 LPAR5 Enzyme