2.0 2012-07-30 14:54:43 -0600 2015-06-03 17:20:47 -0600 ECMDB21162 M2MDB001571 2-octadec-11-enoyl-sn-glycerol 3-phosphate 2-octadec-11-enoyl-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-Octadec-11-enoyl-sn-glycerol 3-phosphoric acid C21H41O7P 436.5198 436.258990178 {3-hydroxy-2-[(11Z)-octadec-11-enoyloxy]propoxy}phosphonic acid 3-hydroxy-2-[(11Z)-octadec-11-enoyloxy]propoxyphosphonic acid CCCCCC\C=C/CCCCCCCCCC(=O)OC(CO)COP(O)(O)=O InChI=1S/C21H41O7P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(23)28-20(18-22)19-27-29(24,25)26/h7-8,20,22H,2-6,9-19H2,1H3,(H2,24,25,26)/b8-7- NNLVBQMHODHIDZ-FPLPWBNLSA-N Membrane logp 4.68 ALOGPS logs -5.40 ALOGPS solubility 1.73e-03 g/l ALOGPS logp 5.49 ChemAxon pka_strongest_acidic 1.32 ChemAxon pka_strongest_basic -3 ChemAxon iupac {3-hydroxy-2-[(11Z)-octadec-11-enoyloxy]propoxy}phosphonic acid ChemAxon average_mass 436.5198 ChemAxon mono_mass 436.258990178 ChemAxon smiles CCCCCC\C=C/CCCCCCCCCC(=O)OC(CO)COP(O)(O)=O ChemAxon formula C21H41O7P ChemAxon inchi InChI=1S/C21H41O7P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(23)28-20(18-22)19-27-29(24,25)26/h7-8,20,22H,2-6,9-19H2,1H3,(H2,24,25,26)/b8-7- ChemAxon inchikey NNLVBQMHODHIDZ-FPLPWBNLSA-N ChemAxon polar_surface_area 113.29 ChemAxon refractivity 115.3 ChemAxon polarizability 49.59 ChemAxon rotatable_bond_count 21 ChemAxon acceptor_count 5 ChemAxon donor_count 3 ChemAxon physiological_charge -2 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 1088091 Specdb::NmrOneD 326582 Specdb::NmrOneD 326583 Specdb::NmrOneD 326584 Specdb::NmrOneD 326585 Specdb::NmrOneD 326586 Specdb::NmrOneD 326587 Specdb::NmrOneD 326588 Specdb::NmrOneD 326589 Specdb::NmrOneD 326590 Specdb::NmrOneD 326591 Specdb::NmrOneD 326592 Specdb::NmrOneD 326593 Specdb::NmrOneD 326594 Specdb::NmrOneD 326595 Specdb::NmrOneD 326596 Specdb::NmrOneD 326597 Specdb::NmrOneD 326598 Specdb::NmrOneD 326599 Specdb::NmrOneD 326600 Specdb::NmrOneD 326601 Specdb::MsMs 25709 Specdb::MsMs 25710 Specdb::MsMs 25711 Specdb::MsMs 32267 Specdb::MsMs 32268 Specdb::MsMs 32269 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-octadec-11-enoyl-sn-glycerol 3-phosphate + Octadecenoate (N-C18:1) 2-octadec-11-enoyl-sn-glycerol 3-phosphate + Water > Glycerol 3-phosphate +2 Hydrogen ion + Octadecenoate (N-C18:1)