2.0 2012-07-30 14:54:40 -0600 2015-06-03 17:20:42 -0600 ECMDB21128 M2MDB001537 1-Hexadec-9-enoyl-sn-glycerol 3-phosphate 1-hexadec-9-enoyl-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-Hexadec-9-enoyl-sn-glycerol 3-phosphoric acid C19H35O7P 406.4508 406.212039986 2-hydroxy-3-(phosphonatooxy)propyl (9E)-hexadec-9-enoate 2-hydroxy-3-(phosphonatooxy)propyl (9E)-hexadec-9-enoate [H]\C(CCCCCC)=C(\[H])CCCCCCCC(=O)OCC(O)COP([O-])([O-])=O InChI=1S/C19H37O7P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19(21)25-16-18(20)17-26-27(22,23)24/h7-8,18,20H,2-6,9-17H2,1H3,(H2,22,23,24)/p-2/b8-7+ GLGQZYWTNAOWHT-BQYQJAHWSA-L Cytosol Membrane Periplasm logp 4.78 ALOGPS logs -4.72 ALOGPS solubility 8.41e-03 g/l ALOGPS logp 4.6 ChemAxon pka_strongest_acidic 1.51 ChemAxon pka_strongest_basic -3.4 ChemAxon iupac 2-hydroxy-3-(phosphonatooxy)propyl (9E)-hexadec-9-enoate ChemAxon average_mass 406.4508 ChemAxon mono_mass 406.212039986 ChemAxon smiles [H]\C(CCCCCC)=C(\[H])CCCCCCCC(=O)OCC(O)COP([O-])([O-])=O ChemAxon formula C19H35O7P ChemAxon inchi InChI=1S/C19H37O7P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19(21)25-16-18(20)17-26-27(22,23)24/h7-8,18,20H,2-6,9-17H2,1H3,(H2,22,23,24)/p-2/b8-7+ ChemAxon inchikey GLGQZYWTNAOWHT-BQYQJAHWSA-L ChemAxon polar_surface_area 118.95 ChemAxon refractivity 103.85 ChemAxon polarizability 45.32 ChemAxon rotatable_bond_count 19 ChemAxon acceptor_count 5 ChemAxon donor_count 1 ChemAxon physiological_charge -2 ChemAxon formal_charge -2 ChemAxon Specdb::NmrOneD 270658 Specdb::NmrOneD 270659 Specdb::NmrOneD 270660 Specdb::NmrOneD 270661 Specdb::NmrOneD 270662 Specdb::NmrOneD 270663 Specdb::NmrOneD 270664 Specdb::NmrOneD 270665 Specdb::NmrOneD 270666 Specdb::NmrOneD 270667 Specdb::NmrOneD 270668 Specdb::NmrOneD 270669 Specdb::NmrOneD 270670 Specdb::NmrOneD 270671 Specdb::NmrOneD 270672 Specdb::NmrOneD 270673 Specdb::NmrOneD 270674 Specdb::NmrOneD 270675 Specdb::NmrOneD 270676 Specdb::NmrOneD 270677 Specdb::MsMs 28925 Specdb::MsMs 28926 Specdb::MsMs 28927 Specdb::MsMs 35483 Specdb::MsMs 35484 Specdb::MsMs 35485 CPD0-2137 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 + cis-hexadec-9-enoyl-[acyl-carrier protein] (n-C16:1) > 1-Hexadec-9-enoyl-sn-glycerol 3-phosphate + acyl carrier protein 1-Hexadec-9-enoyl-sn-glycerol 3-phosphate + Water > Glycerol 3-phosphate + Hydrogen ion + Hexadecenoate (n-C16:1) 1-Hexadec-9-enoyl-sn-glycerol 3-phosphate + cis-hexadec-9-enoyl-[acyl-carrier protein] (n-C16:1) > acyl carrier protein + PA(16:0/16:0) Glycerol 3-phosphate + Hexadecanoyl-phosphate (n-C16:1) > 1-Hexadec-9-enoyl-sn-glycerol 3-phosphate + Hydrogen ion + Phosphate Water + PA(16:0/16:0) > 1-Hexadec-9-enoyl-sn-glycerol 3-phosphate + Hydrogen ion + Hexadecenoate (n-C16:1)