2.0 2012-07-30 14:54:38 -0600 2015-06-03 17:20:39 -0600 ECMDB21108 M2MDB001517 1,2-Diacyl-sn-glycerol (ditetradec-7-enoyl, n-C14:1) 1,2-diacyl-sn-glycerol (ditetradec-7-enoyl, n-c14:1) belongs to the class of Diacylglycerols. These are glycerides consisting of two fatty acid chains covalently bonded to a glycerol molecule through ester linkages. (inferred from compound structure) C31H56O5 508.7733 508.412774902 1-hydroxy-3-[(7Z)-tetradec-7-enoyloxy]propan-2-yl (7Z)-tetradec-7-enoate 1-hydroxy-3-[(7Z)-tetradec-7-enoyloxy]propan-2-yl (7Z)-tetradec-7-enoate CCCCCC\C=C/CCCCCC(=O)OCC(CO)OC(=O)CCCCC\C=C/CCCCCC InChI=1S/C31H56O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-30(33)35-28-29(27-32)36-31(34)26-24-22-20-18-16-14-12-10-8-6-4-2/h13-16,29,32H,3-12,17-28H2,1-2H3/b15-13-,16-14- BGFRYQUZVKRYLY-VMNXYWKNSA-N Membrane logp 8.63 ALOGPS logs -7.30 ALOGPS solubility 2.58e-05 g/l ALOGPS logp 9.5 ChemAxon pka_strongest_acidic 14.58 ChemAxon pka_strongest_basic -3 ChemAxon iupac 1-hydroxy-3-[(7Z)-tetradec-7-enoyloxy]propan-2-yl (7Z)-tetradec-7-enoate ChemAxon average_mass 508.7733 ChemAxon mono_mass 508.412774902 ChemAxon smiles CCCCCC\C=C/CCCCCC(=O)OCC(CO)OC(=O)CCCCC\C=C/CCCCCC ChemAxon formula C31H56O5 ChemAxon inchi InChI=1S/C31H56O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-30(33)35-28-29(27-32)36-31(34)26-24-22-20-18-16-14-12-10-8-6-4-2/h13-16,29,32H,3-12,17-28H2,1-2H3/b15-13-,16-14- ChemAxon inchikey BGFRYQUZVKRYLY-VMNXYWKNSA-N ChemAxon polar_surface_area 72.83 ChemAxon refractivity 151.53 ChemAxon polarizability 64.35 ChemAxon rotatable_bond_count 28 ChemAxon acceptor_count 3 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 1088617 Specdb::NmrOneD 284889 Specdb::NmrOneD 284890 Specdb::NmrOneD 284891 Specdb::NmrOneD 284892 Specdb::NmrOneD 284893 Specdb::NmrOneD 284894 Specdb::NmrOneD 284895 Specdb::NmrOneD 284896 Specdb::NmrOneD 284897 Specdb::NmrOneD 284898 Specdb::NmrOneD 284899 Specdb::NmrOneD 284900 Specdb::NmrOneD 284901 Specdb::NmrOneD 284902 Specdb::NmrOneD 284903 Specdb::NmrOneD 284904 Specdb::NmrOneD 284905 Specdb::NmrOneD 284906 Specdb::NmrOneD 284907 Specdb::NmrOneD 284908 Specdb::MsMs 27071 Specdb::MsMs 27072 Specdb::MsMs 27073 Specdb::MsMs 33629 Specdb::MsMs 33630 Specdb::MsMs 33631 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 Phosphatidylglycerophosphatase B P0A924 PGPB_ECOLI pgpB http://ecmdb.ca/proteins/P0A924.xml Diacylglycerol kinase P0ABN1 KDGL_ECOLI dgkA http://ecmdb.ca/proteins/P0ABN1.xml Water + PA(16:0/16:0) > 1,2-Diacyl-sn-glycerol (ditetradec-7-enoyl, n-C14:1) + Phosphate 1,2-Diacyl-sn-glycerol (ditetradec-7-enoyl, n-C14:1) + Adenosine triphosphate > ADP + Hydrogen ion + PA(16:0/16:0)