2.0 2012-07-30 14:54:38 -0600 2015-06-03 17:20:38 -0600 ECMDB21105 M2MDB001514 1,2-Diacyl-sn-glycerol (dihexadecanoyl, n-C16:0) 1,2-diacyl-sn-glycerol (dihexadecanoyl, n-c16:0) 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) 1,2-dipalmitoyl-rac-glycerol DAG(16:0/16:0) DAG(32:0) DG(16:0/16:0) DG(32:0) Diacylglycerol Diacylglycerol(16:0/16:0) Diacylglycerol(32:0) Diglyceride C35H68O5 568.9114 568.506675286 (2S)-1-(hexadecanoyloxy)-3-hydroxypropan-2-yl hexadecanoate diacylglycerol [H][C@](CO)(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCC InChI=1S/C35H68O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-34(37)39-32-33(31-36)40-35(38)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h33,36H,3-32H2,1-2H3/t33-/m0/s1 JEJLGIQLPYYGEE-XIFFEERXSA-N Membrane logp 9.91 ALOGPS logs -7.45 ALOGPS solubility 2.04e-05 g/l ALOGPS logp 12 ChemAxon pka_strongest_acidic 14.58 ChemAxon pka_strongest_basic -3 ChemAxon iupac (2S)-1-(hexadecanoyloxy)-3-hydroxypropan-2-yl hexadecanoate ChemAxon average_mass 568.9114 ChemAxon mono_mass 568.506675286 ChemAxon smiles [H][C@](CO)(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCC ChemAxon formula C35H68O5 ChemAxon inchi InChI=1S/C35H68O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-34(37)39-32-33(31-36)40-35(38)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h33,36H,3-32H2,1-2H3/t33-/m0/s1 ChemAxon inchikey JEJLGIQLPYYGEE-XIFFEERXSA-N ChemAxon polar_surface_area 72.83 ChemAxon refractivity 167.7 ChemAxon polarizability 75.44 ChemAxon rotatable_bond_count 34 ChemAxon acceptor_count 3 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 39229 Specdb::CMs 282227 Specdb::CMs 365899 Specdb::NmrOneD 344408 Specdb::NmrOneD 344409 Specdb::NmrOneD 344410 Specdb::NmrOneD 344411 Specdb::NmrOneD 344412 Specdb::NmrOneD 344413 Specdb::NmrOneD 344414 Specdb::NmrOneD 344415 Specdb::NmrOneD 344416 Specdb::NmrOneD 344417 Specdb::NmrOneD 344418 Specdb::NmrOneD 344419 Specdb::NmrOneD 344420 Specdb::NmrOneD 344421 Specdb::NmrOneD 344422 Specdb::NmrOneD 344423 Specdb::NmrOneD 344424 Specdb::NmrOneD 344425 Specdb::NmrOneD 344426 Specdb::NmrOneD 344427 Specdb::MsMs 588355 Specdb::MsMs 588356 Specdb::MsMs 588357 Specdb::MsMs 2508145 Specdb::MsMs 2508146 Specdb::MsMs 2508147 Specdb::MsMs 2591242 Specdb::MsMs 2591243 Specdb::MsMs 2591244 Specdb::MsMs 2812460 Specdb::MsMs 2812461 Specdb::MsMs 2812462 Specdb::MsMs 2897028 Specdb::MsMs 2897029 Specdb::MsMs 2897030 HMDB07098 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 (dihexadecanoyl, n-C16:0) + Phosphate 1,2-Diacyl-sn-glycerol (dihexadecanoyl, n-C16:0) + Adenosine triphosphate > ADP + Hydrogen ion + PA(16:0/16:0)