2.0 2012-07-30 14:54:38 -0600 2015-06-03 17:20:38 -0600 ECMDB21106 M2MDB001515 1,2-Diacyl-sn-glycerol (dioctadec-11-enoyl, n-C18:1) 1,2-diacyl-sn-glycerol (dioctadec-11-enoyl, n-c18:1) 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) (2S)-3-hydroxy-2-(Z)-octadec-11-enoyloxypropyl (Z)-octadec-11-enoate (2S)-3-Hydroxy-2-(Z)-octadec-11-enoyloxypropyl (Z)-octadec-11-enoic acid 1,2-divaccenoyl-rac-glycerol DAG(18:1/18:1) DAG(18:1n7/18:1n7) DAG(18:1w7/18:1w7) DAG(36:2) DG(18:1/18:1) DG(18:1n7/18:1n7) DG(18:1w7/18:1w7) DG(36:2) Diacylglycerol Diacylglycerol(18:1/18:1) Diacylglycerol(18:1n7/18:1n7) Diacylglycerol(18:1w7/18:1w7) Diacylglycerol(36:2) Diglyceride C39H72O5 620.986 620.537975414 (2S)-1-hydroxy-3-[(11Z)-octadec-11-enoyloxy]propan-2-yl (11Z)-octadec-11-enoate 1,2-divaccenoyl-rac-glycerol [H][C@](CO)(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC InChI=1S/C39H72O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-38(41)43-36-37(35-40)44-39(42)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h13-16,37,40H,3-12,17-36H2,1-2H3/b15-13-,16-14-/t37-/m0/s1 JQTCHIYVEDEVBR-ZHDGQSQGSA-N Membrane logp 10.25 ALOGPS logs -7.69 ALOGPS solubility 1.26e-05 g/l ALOGPS logp 13.06 ChemAxon pka_strongest_acidic 14.58 ChemAxon pka_strongest_basic -3 ChemAxon iupac (2S)-1-hydroxy-3-[(11Z)-octadec-11-enoyloxy]propan-2-yl (11Z)-octadec-11-enoate ChemAxon average_mass 620.986 ChemAxon mono_mass 620.537975414 ChemAxon smiles [H][C@](CO)(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC ChemAxon formula C39H72O5 ChemAxon inchi InChI=1S/C39H72O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-38(41)43-36-37(35-40)44-39(42)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h13-16,37,40H,3-12,17-36H2,1-2H3/b15-13-,16-14-/t37-/m0/s1 ChemAxon inchikey JQTCHIYVEDEVBR-ZHDGQSQGSA-N ChemAxon polar_surface_area 72.83 ChemAxon refractivity 188.34 ChemAxon polarizability 80.54 ChemAxon rotatable_bond_count 36 ChemAxon acceptor_count 3 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 39284 Specdb::CMs 544299 Specdb::CMs 792805 Specdb::MsMs 596449 Specdb::MsMs 596450 Specdb::MsMs 596451 Specdb::MsMs 2384951 Specdb::MsMs 2384952 Specdb::MsMs 2384953 Specdb::MsMs 2577297 Specdb::MsMs 2577298 Specdb::MsMs 2577299 Specdb::MsMs 2673491 Specdb::MsMs 2673492 Specdb::MsMs 2673493 Specdb::MsMs 2817975 Specdb::MsMs 2817976 Specdb::MsMs 2817977 HMDB07188 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 Phosphoethanolamine transferase eptB P37661 EPTB_ECOLI eptB http://ecmdb.ca/proteins/P37661.xml Water + PA(16:0/16:0) > 1,2-Diacyl-sn-glycerol (dioctadec-11-enoyl, n-C18:1) + Phosphate KDO2-Lipid A + PE(14:0/14:0) > 1,2-Diacyl-sn-glycerol (dioctadec-11-enoyl, n-C18:1) + Phosphoethanolamine KDO(2)-lipid (A) 1,2-Diacyl-sn-glycerol (dioctadec-11-enoyl, n-C18:1) + Adenosine triphosphate > ADP + Hydrogen ion + PA(16:0/16:0)