2.0 2012-07-30 14:54:40 -0600 2015-06-03 17:20:42 -0600 ECMDB21131 M2MDB001540 1-Octadecanoyl-sn-glycerol 3-phosphate 1-octadecanoyl-sn-glycerol 3-phosphate belongs to the class of Lysophosphatidic Acids. These are glycerophosphates where the glycerol is esterified with one saturated fatty acid. (inferred from compound structure) 1-Octadecanoyl-sn-glycerol 3-phosphoric acid 1-Stearoylglycerol 3-phosphate 1-Stearoylglycerol 3-phosphoric acid C21H41O7P 436.5198 436.258990178 (2R)-2-hydroxy-3-(phosphonatooxy)propyl octadecanoate (2R)-2-hydroxy-3-(phosphonatooxy)propyl octadecanoate [H][C@@](O)(COC(=O)CCCCCCCCCCCCCCCCC)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)/p-2/t20-/m1/s1 LAYXSTYJRSVXIH-HXUWFJFHSA-L Cytosol Membrane Periplasm logp 5.70 ALOGPS logs -5.48 ALOGPS solubility 1.55e-03 g/l ALOGPS logp 5.85 ChemAxon pka_strongest_acidic 1.51 ChemAxon pka_strongest_basic -3.4 ChemAxon iupac (2R)-2-hydroxy-3-(phosphonatooxy)propyl octadecanoate ChemAxon average_mass 436.5198 ChemAxon mono_mass 436.258990178 ChemAxon smiles [H][C@@](O)(COC(=O)CCCCCCCCCCCCCCCCC)COP([O-])([O-])=O ChemAxon formula C21H41O7P 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)/p-2/t20-/m1/s1 ChemAxon inchikey LAYXSTYJRSVXIH-HXUWFJFHSA-L ChemAxon polar_surface_area 118.95 ChemAxon refractivity 111.94 ChemAxon polarizability 50.36 ChemAxon rotatable_bond_count 22 ChemAxon acceptor_count 5 ChemAxon donor_count 1 ChemAxon physiological_charge -2 ChemAxon formal_charge -2 ChemAxon Specdb::MsMs 23474 Specdb::MsMs 23475 Specdb::MsMs 23476 Specdb::MsMs 30272 Specdb::MsMs 30273 Specdb::MsMs 30274 49859619 CPD0-2113 Glycerol-3-phosphate acyltransferase P0A7A7 PLSB_ECOLI plsB http://ecmdb.ca/proteins/P0A7A7.xml Phospholipase A1 P0A921 PA1_ECOLI pldA http://ecmdb.ca/proteins/P0A921.xml Acyl-CoA thioesterase I P0ADA1 TESA_ECOLI tesA http://ecmdb.ca/proteins/P0ADA1.xml 1-acyl-sn-glycerol-3-phosphate acyltransferase P26647 PLSC_ECOLI plsC http://ecmdb.ca/proteins/P26647.xml Probable glycerol-3-phosphate acyltransferase P60782 PLSY_ECOLI plsY http://ecmdb.ca/proteins/P60782.xml Acyl carrier protein P0A6A8 ACP_ECOLI acpP http://ecmdb.ca/proteins/P0A6A8.xml Glycerol 3-phosphate + Octadecanoyl-ACP (n-C18:0ACP) > 1-Octadecanoyl-sn-glycerol 3-phosphate + acyl carrier protein 1-Octadecanoyl-sn-glycerol 3-phosphate + Water > Glycerol 3-phosphate + Hydrogen ion + Octadecanoate (N-C18:0) 1-Octadecanoyl-sn-glycerol 3-phosphate + Octadecanoyl-ACP (n-C18:0ACP) > acyl carrier protein + PA(16:0/16:0) Glycerol 3-phosphate + Octadecanoyl-phosphate (n-C18:0) > 1-Octadecanoyl-sn-glycerol 3-phosphate + Hydrogen ion + Phosphate Water + PA(16:0/16:0) > 1-Octadecanoyl-sn-glycerol 3-phosphate + Hydrogen ion + Octadecanoate (N-C18:0)