2.0 2012-07-30 14:54:43 -0600 2015-06-03 17:20:47 -0600 ECMDB21166 M2MDB001575 2-tetradecanoyl-sn-glycerol 3-phosphate 2-tetradecanoyl-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) 2-Tetradecanoyl-sn-glycerol 3-phosphoric acid C17H35O7P 382.4294 382.212039986 [3-hydroxy-2-(tetradecanoyloxy)propoxy]phosphonic acid 3-hydroxy-2-(tetradecanoyloxy)propoxyphosphonic acid CCCCCCCCCCCCCC(=O)OC(CO)COP(O)(O)=O InChI=1S/C17H35O7P/c1-2-3-4-5-6-7-8-9-10-11-12-13-17(19)24-16(14-18)15-23-25(20,21)22/h16,18H,2-15H2,1H3,(H2,20,21,22) AKURFOGPABVRGG-UHFFFAOYSA-N Membrane logp 3.09 ALOGPS logs -4.28 ALOGPS solubility 1.99e-02 g/l ALOGPS logp 4.07 ChemAxon pka_strongest_acidic 1.32 ChemAxon pka_strongest_basic -3 ChemAxon iupac [3-hydroxy-2-(tetradecanoyloxy)propoxy]phosphonic acid ChemAxon average_mass 382.4294 ChemAxon mono_mass 382.212039986 ChemAxon smiles CCCCCCCCCCCCCC(=O)OC(CO)COP(O)(O)=O ChemAxon formula C17H35O7P ChemAxon inchi InChI=1S/C17H35O7P/c1-2-3-4-5-6-7-8-9-10-11-12-13-17(19)24-16(14-18)15-23-25(20,21)22/h16,18H,2-15H2,1H3,(H2,20,21,22) ChemAxon inchikey AKURFOGPABVRGG-UHFFFAOYSA-N ChemAxon polar_surface_area 113.29 ChemAxon refractivity 95.78 ChemAxon polarizability 42.59 ChemAxon rotatable_bond_count 18 ChemAxon acceptor_count 5 ChemAxon donor_count 3 ChemAxon physiological_charge -2 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 1085754 Specdb::NmrOneD 295195 Specdb::NmrOneD 295196 Specdb::NmrOneD 295197 Specdb::NmrOneD 295198 Specdb::NmrOneD 295199 Specdb::NmrOneD 295200 Specdb::NmrOneD 295201 Specdb::NmrOneD 295202 Specdb::NmrOneD 295203 Specdb::NmrOneD 295204 Specdb::NmrOneD 295205 Specdb::NmrOneD 295206 Specdb::NmrOneD 295207 Specdb::NmrOneD 295208 Specdb::NmrOneD 295209 Specdb::NmrOneD 295210 Specdb::NmrOneD 295211 Specdb::NmrOneD 295212 Specdb::NmrOneD 295213 Specdb::NmrOneD 295214 Specdb::MsMs 26300 Specdb::MsMs 26301 Specdb::MsMs 26302 Specdb::MsMs 32858 Specdb::MsMs 32859 Specdb::MsMs 32860 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 Phospholipase A1 P0A921 PA1_ECOLI pldA http://ecmdb.ca/proteins/P0A921.xml Lysophospholipid transporter lplT P39196 LPLT_ECOLI lplT http://ecmdb.ca/proteins/P39196.xml Water + PA(16:0/16:0) > 2-tetradecanoyl-sn-glycerol 3-phosphate + tetradecanoate (n-C14:0) 2-tetradecanoyl-sn-glycerol 3-phosphate + Water > Glycerol 3-phosphate +2 Hydrogen ion + tetradecanoate (n-C14:0)