2.0 2012-07-30 14:55:16 -0600 2015-09-16 14:50:11 -0600 ECMDB21302 M2MDB001706 Acyl phosphatidylglycerol (N-C14:1) Phosphatidylglycerol is a glycerophospholipid. The general structure of phosphatidylglycerol consists of a L-glycerol 3-phosphate backbone ester-bonded to either saturated or unsaturated fatty acids on carbons 1 and 2. The head group substituent glycerol is bonded through a phosphomonoester. Glycerophospholipids are important intermediates in cardiolipin synthesis. C48H86O11P 870.1636 869.590775106 3-({2,3-bis[(7E)-tetradec-7-enoyloxy]propyl phosphonato}oxy)-2-hydroxypropyl (7E)-tetradec-7-enoate 3-({2,3-bis[(7E)-tetradec-7-enoyloxy]propyl phosphonato}oxy)-2-hydroxypropyl (7E)-tetradec-7-enoate [H]\C(CCCCCC)=C(\[H])CCCCCC(=O)OCC(O)COP([O-])(=O)OCC(COC(=O)CCCCC\C([H])=C(/[H])CCCCCC)OC(=O)CCCCC\C([H])=C(/[H])CCCCCC InChI=1S/C48H87O11P/c1-4-7-10-13-16-19-22-25-28-31-34-37-46(50)55-40-44(49)41-57-60(53,54)58-43-45(59-48(52)39-36-33-30-27-24-21-18-15-12-9-6-3)42-56-47(51)38-35-32-29-26-23-20-17-14-11-8-5-2/h19-24,44-45,49H,4-18,25-43H2,1-3H3,(H,53,54)/p-1/b22-19+,23-20+,24-21+ GKHYJHGQULCCBX-IKVQWSBMSA-M Membrane logp 8.79 ALOGPS logs -7.31 ALOGPS solubility 4.37e-05 g/l ALOGPS logp 14.1 ChemAxon pka_strongest_acidic 1.89 ChemAxon pka_strongest_basic -3.4 ChemAxon iupac 3-({2,3-bis[(7E)-tetradec-7-enoyloxy]propyl phosphonato}oxy)-2-hydroxypropyl (7E)-tetradec-7-enoate ChemAxon average_mass 870.1636 ChemAxon mono_mass 869.590775106 ChemAxon smiles [H]\C(CCCCCC)=C(\[H])CCCCCC(=O)OCC(O)COP([O-])(=O)OCC(COC(=O)CCCCC\C([H])=C(/[H])CCCCCC)OC(=O)CCCCC\C([H])=C(/[H])CCCCCC ChemAxon formula C48H86O11P ChemAxon inchi InChI=1S/C48H87O11P/c1-4-7-10-13-16-19-22-25-28-31-34-37-46(50)55-40-44(49)41-57-60(53,54)58-43-45(59-48(52)39-36-33-30-27-24-21-18-15-12-9-6-3)42-56-47(51)38-35-32-29-26-23-20-17-14-11-8-5-2/h19-24,44-45,49H,4-18,25-43H2,1-3H3,(H,53,54)/p-1/b22-19+,23-20+,24-21+ ChemAxon inchikey GKHYJHGQULCCBX-IKVQWSBMSA-M ChemAxon polar_surface_area 157.72 ChemAxon refractivity 243.52 ChemAxon polarizability 105.27 ChemAxon rotatable_bond_count 47 ChemAxon acceptor_count 6 ChemAxon donor_count 1 ChemAxon physiological_charge -1 ChemAxon formal_charge -1 ChemAxon Specdb::NmrOneD 288755 Specdb::NmrOneD 288756 Specdb::NmrOneD 288757 Specdb::NmrOneD 288758 Specdb::NmrOneD 288759 Specdb::NmrOneD 288760 Specdb::NmrOneD 288761 Specdb::NmrOneD 288762 Specdb::NmrOneD 288763 Specdb::NmrOneD 288764 Specdb::NmrOneD 288765 Specdb::NmrOneD 288766 Specdb::NmrOneD 288767 Specdb::NmrOneD 288768 Specdb::NmrOneD 288769 Specdb::NmrOneD 288770 Specdb::NmrOneD 288771 Specdb::NmrOneD 288772 Specdb::NmrOneD 288773 Specdb::NmrOneD 288774 Specdb::MsMs 29414 Specdb::MsMs 29415 Specdb::MsMs 29416 Specdb::MsMs 35972 Specdb::MsMs 35973 Specdb::MsMs 35974 CPD0-2196 Yurtsever D. (2007). Fatty acid methyl ester profiling of Enterococcus and Esherichia coli for microbial source tracking. M.sc. Thesis. Villanova University: U.S.A Lysophospholipase L2 P07000 PLDB_ECOLI pldB http://ecmdb.ca/proteins/P07000.xml 2-Acyl-sn-glycero-3-phosphoethanolamine (N-C14:1) + PG(14:1(7Z)/14:1(7Z)) > Acyl phosphatidylglycerol (N-C14:1) + Glycerylphosphorylethanolamine 2-Acyl-sn-glycero-3-phosphoglycerol (N-C14:1) + PG(14:1(7Z)/14:1(7Z)) > Acyl phosphatidylglycerol (N-C14:1) + Glycerophosphoglycerol