2.0 2012-07-30 14:54:40 -0600 2015-06-03 17:20:41 -0600 ECMDB21127 M2MDB001536 1-Dodecanoyl-sn-glycerol 3-phosphate 1-dodecanoyl-sn-glycerol 3-phosphate belongs to the class of Fatty Acid Esters. These are carboxylic ester derivatives of a fatty acid. (inferred from compound structure) 1-dodecanoyl-sn-glycerol 3-phosphate 1-Dodecanoyl-sn-glycerol 3-phosphoric acid C15H29O7P 352.3603 352.165089794 2-hydroxy-3-(phosphonatooxy)propyl dodecanoate 2-hydroxy-3-(phosphonatooxy)propyl dodecanoate CCCCCCCCCCCC(=O)OCC(O)COP([O-])([O-])=O InChI=1S/C15H31O7P/c1-2-3-4-5-6-7-8-9-10-11-15(17)21-12-14(16)13-22-23(18,19)20/h14,16H,2-13H2,1H3,(H2,18,19,20)/p-2 STTKJLVEXMKLNA-UHFFFAOYSA-L Cytosol Membrane Periplasm logp 3.18 ALOGPS logs -2.68 ALOGPS solubility 8.04e-01 g/l ALOGPS logp 3.18 ChemAxon pka_strongest_acidic 1.51 ChemAxon pka_strongest_basic -3.4 ChemAxon iupac 2-hydroxy-3-(phosphonatooxy)propyl dodecanoate ChemAxon average_mass 352.3603 ChemAxon mono_mass 352.165089794 ChemAxon smiles CCCCCCCCCCCC(=O)OCC(O)COP([O-])([O-])=O ChemAxon formula C15H29O7P ChemAxon inchi InChI=1S/C15H31O7P/c1-2-3-4-5-6-7-8-9-10-11-15(17)21-12-14(16)13-22-23(18,19)20/h14,16H,2-13H2,1H3,(H2,18,19,20)/p-2 ChemAxon inchikey STTKJLVEXMKLNA-UHFFFAOYSA-L ChemAxon polar_surface_area 118.95 ChemAxon refractivity 84.33 ChemAxon polarizability 37.83 ChemAxon rotatable_bond_count 16 ChemAxon acceptor_count 5 ChemAxon donor_count 1 ChemAxon physiological_charge -2 ChemAxon formal_charge -2 ChemAxon Specdb::NmrOneD 314041 Specdb::NmrOneD 314042 Specdb::NmrOneD 314043 Specdb::NmrOneD 314044 Specdb::NmrOneD 314045 Specdb::NmrOneD 314046 Specdb::NmrOneD 314047 Specdb::NmrOneD 314048 Specdb::NmrOneD 314049 Specdb::NmrOneD 314050 Specdb::NmrOneD 314051 Specdb::NmrOneD 314052 Specdb::NmrOneD 314053 Specdb::NmrOneD 314054 Specdb::NmrOneD 314055 Specdb::NmrOneD 314056 Specdb::NmrOneD 314057 Specdb::NmrOneD 314058 Specdb::NmrOneD 314059 Specdb::NmrOneD 314060 Specdb::MsMs 27602 Specdb::MsMs 27603 Specdb::MsMs 27604 Specdb::MsMs 34160 Specdb::MsMs 34161 Specdb::MsMs 34162 45479343 CPD0-2200 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 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 Dodecanoyl-ACP (n-C12:0ACP) + Glycerol 3-phosphate > 1-Dodecanoyl-sn-glycerol 3-phosphate + acyl carrier protein 1-Dodecanoyl-sn-glycerol 3-phosphate + Water > Dodecanoate (N-C12:0) + Glycerol 3-phosphate + Hydrogen ion 1-Dodecanoyl-sn-glycerol 3-phosphate + Dodecanoyl-ACP (n-C12:0ACP) > acyl carrier protein + PA(16:0/16:0) Dodecanoly-phosphate (n-C12:0) + Glycerol 3-phosphate > 1-Dodecanoyl-sn-glycerol 3-phosphate + Hydrogen ion + Phosphate Water + PA(16:0/16:0) > 1-Dodecanoyl-sn-glycerol 3-phosphate + Dodecanoate (N-C12:0) + Hydrogen ion