2.0 2012-07-30 14:54:40 -0600 2015-06-03 17:20:42 -0600 ECMDB21132 M2MDB001541 1-Tetradec-7-enoyl-sn-glycerol 3-phosphate 1-tetradec-7-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-Tetradec-7-enoyl-sn-glycerol 3-phosphoric acid C17H31O7P 378.3976 378.180739858 2-hydroxy-3-(phosphonatooxy)propyl (7E)-tetradec-7-enoate 2-hydroxy-3-(phosphonatooxy)propyl (7E)-tetradec-7-enoate [H]\C(CCCCCC)=C(\[H])CCCCCC(=O)OCC(O)COP([O-])([O-])=O InChI=1S/C17H33O7P/c1-2-3-4-5-6-7-8-9-10-11-12-13-17(19)23-14-16(18)15-24-25(20,21)22/h7-8,16,18H,2-6,9-15H2,1H3,(H2,20,21,22)/p-2/b8-7+ ABWKYTQKHWCOFM-BQYQJAHWSA-L Cytosol Membrane Periplasm logp 3.85 ALOGPS logs -3.44 ALOGPS solubility 1.51e-01 g/l ALOGPS logp 3.71 ChemAxon pka_strongest_acidic 1.51 ChemAxon pka_strongest_basic -3.4 ChemAxon iupac 2-hydroxy-3-(phosphonatooxy)propyl (7E)-tetradec-7-enoate ChemAxon average_mass 378.3976 ChemAxon mono_mass 378.180739858 ChemAxon smiles [H]\C(CCCCCC)=C(\[H])CCCCCC(=O)OCC(O)COP([O-])([O-])=O ChemAxon formula C17H31O7P ChemAxon inchi InChI=1S/C17H33O7P/c1-2-3-4-5-6-7-8-9-10-11-12-13-17(19)23-14-16(18)15-24-25(20,21)22/h7-8,16,18H,2-6,9-15H2,1H3,(H2,20,21,22)/p-2/b8-7+ ChemAxon inchikey ABWKYTQKHWCOFM-BQYQJAHWSA-L ChemAxon polar_surface_area 118.95 ChemAxon refractivity 94.65 ChemAxon polarizability 41.05 ChemAxon rotatable_bond_count 17 ChemAxon acceptor_count 5 ChemAxon donor_count 1 ChemAxon physiological_charge -2 ChemAxon formal_charge -2 ChemAxon Specdb::NmrOneD 309891 Specdb::NmrOneD 309892 Specdb::NmrOneD 309893 Specdb::NmrOneD 309894 Specdb::NmrOneD 309895 Specdb::NmrOneD 309896 Specdb::NmrOneD 309897 Specdb::NmrOneD 309898 Specdb::NmrOneD 309899 Specdb::NmrOneD 309900 Specdb::NmrOneD 309901 Specdb::NmrOneD 309902 Specdb::NmrOneD 309903 Specdb::NmrOneD 309904 Specdb::NmrOneD 309905 Specdb::NmrOneD 309906 Specdb::NmrOneD 309907 Specdb::NmrOneD 309908 Specdb::NmrOneD 309909 Specdb::NmrOneD 309910 Specdb::MsMs 26651 Specdb::MsMs 26652 Specdb::MsMs 26653 Specdb::MsMs 33209 Specdb::MsMs 33210 Specdb::MsMs 33211 CPD0-2122 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-tetradec-7-enoyl-[acyl-carrier protein] (n-C14:1) > 1-Tetradec-7-enoyl-sn-glycerol 3-phosphate + acyl carrier protein 1-Tetradec-7-enoyl-sn-glycerol 3-phosphate + Water > Glycerol 3-phosphate + Hydrogen ion + Tetradecenoate (N-C14:1) 1-Tetradec-7-enoyl-sn-glycerol 3-phosphate + cis-tetradec-7-enoyl-[acyl-carrier protein] (n-C14:1) > acyl carrier protein + PA(16:0/16:0) Glycerol 3-phosphate + Tetradecanoyl-phosphate (n-C14:1) > 1-Tetradec-7-enoyl-sn-glycerol 3-phosphate + Hydrogen ion + Phosphate Water + PA(16:0/16:0) > 1-Tetradec-7-enoyl-sn-glycerol 3-phosphate + Hydrogen ion + Tetradecenoate (N-C14:1)