2.0 2012-07-30 14:54:43 -0600 2015-06-03 17:20:46 -0600 ECMDB21159 M2MDB001568 2-dodecanoyl-sn-glycerol 3-phosphate 2-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) 2-Dodecanoyl-sn-glycerol 3-phosphoric acid C15H31O7P 354.3762 354.180739858 [2-(dodecanoyloxy)-3-hydroxypropoxy]phosphonic acid 2-(dodecanoyloxy)-3-hydroxypropoxyphosphonic acid CCCCCCCCCCCC(=O)OC(CO)COP(O)(O)=O InChI=1S/C15H31O7P/c1-2-3-4-5-6-7-8-9-10-11-15(17)22-14(12-16)13-21-23(18,19)20/h14,16H,2-13H2,1H3,(H2,18,19,20) LHCAWUYTNNOZLU-UHFFFAOYSA-N Membrane logp 2.46 ALOGPS logs -3.27 ALOGPS solubility 1.90e-01 g/l ALOGPS logp 3.18 ChemAxon pka_strongest_acidic 1.32 ChemAxon pka_strongest_basic -3 ChemAxon iupac [2-(dodecanoyloxy)-3-hydroxypropoxy]phosphonic acid ChemAxon average_mass 354.3762 ChemAxon mono_mass 354.180739858 ChemAxon smiles CCCCCCCCCCCC(=O)OC(CO)COP(O)(O)=O ChemAxon formula C15H31O7P ChemAxon inchi InChI=1S/C15H31O7P/c1-2-3-4-5-6-7-8-9-10-11-15(17)22-14(12-16)13-21-23(18,19)20/h14,16H,2-13H2,1H3,(H2,18,19,20) ChemAxon inchikey LHCAWUYTNNOZLU-UHFFFAOYSA-N ChemAxon polar_surface_area 113.29 ChemAxon refractivity 86.58 ChemAxon polarizability 38.33 ChemAxon rotatable_bond_count 16 ChemAxon acceptor_count 5 ChemAxon donor_count 3 ChemAxon physiological_charge -2 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 1084968 Specdb::NmrOneD 331642 Specdb::NmrOneD 331643 Specdb::NmrOneD 331644 Specdb::NmrOneD 331645 Specdb::NmrOneD 331646 Specdb::NmrOneD 331647 Specdb::NmrOneD 331648 Specdb::NmrOneD 331649 Specdb::NmrOneD 331650 Specdb::NmrOneD 331651 Specdb::NmrOneD 331652 Specdb::NmrOneD 331653 Specdb::NmrOneD 331654 Specdb::NmrOneD 331655 Specdb::NmrOneD 331656 Specdb::NmrOneD 331657 Specdb::NmrOneD 331658 Specdb::NmrOneD 331659 Specdb::NmrOneD 331660 Specdb::NmrOneD 331661 Specdb::MsMs 27269 Specdb::MsMs 27270 Specdb::MsMs 27271 Specdb::MsMs 33827 Specdb::MsMs 33828 Specdb::MsMs 33829 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-dodecanoyl-sn-glycerol 3-phosphate + Dodecanoate (N-C12:0) 2-dodecanoyl-sn-glycerol 3-phosphate + Water > Dodecanoate (N-C12:0) + Glycerol 3-phosphate +2 Hydrogen ion