2.0 2012-10-10 13:28:16 -0600 2015-12-09 14:09:23 -0700 ECMDB23301 M2MDB003691 DG(18:0/18:0/0:0) DG(18:0/18:0/0:0) belongs to the family of Diacylglycerols. These are glycerolipids lipids containing a common glycerol backbone to which at least one fatty acyl group is esterified. DG(18:0/18:0/0:0) is also a substrate of diacylglycerol kinase. It is involved in the phospholipid metabolic pathway. 1,2-dioctadecanoyl-rac-glycerol 1,2-distearoyl-rac-glycerol DAG(18:0/18:0) DAG(36:0) DG(18:0/18:0) DG(36:0) Diacylglycerol Diacylglycerol(18:0/18:0) Diacylglycerol(36:0) Diglyceride C39H76O5 625.0177 624.569275542 2-hydroxy-3-(octadecanoyloxy)propyl octadecanoate 2-hydroxy-3-(octadecanoyloxy)propyl octadecanoate CCCCCCCCCCCCCCCCCC(=O)OCC(O)COC(=O)CCCCCCCCCCCCCCCCC InChI=1S/C39H76O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-38(41)43-35-37(40)36-44-39(42)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h37,40H,3-36H2,1-2H3 IZHVBANLECCAGF-UHFFFAOYSA-N Membrane logp 10.37 ALOGPS logs -7.57 ALOGPS solubility 1.69e-05 g/l ALOGPS logp 13.78 ChemAxon pka_strongest_acidic 13.63 ChemAxon pka_strongest_basic -3.4 ChemAxon iupac 2-hydroxy-3-(octadecanoyloxy)propyl octadecanoate ChemAxon average_mass 625.0177 ChemAxon mono_mass 624.569275542 ChemAxon smiles CCCCCCCCCCCCCCCCCC(=O)OCC(O)COC(=O)CCCCCCCCCCCCCCCCC ChemAxon formula C39H76O5 ChemAxon inchi InChI=1S/C39H76O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-38(41)43-35-37(40)36-44-39(42)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h37,40H,3-36H2,1-2H3 ChemAxon inchikey IZHVBANLECCAGF-UHFFFAOYSA-N ChemAxon polar_surface_area 72.83 ChemAxon refractivity 186.1 ChemAxon polarizability 84.52 ChemAxon rotatable_bond_count 38 ChemAxon acceptor_count 3 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 47740 Specdb::CMs 196203 Specdb::CMs 560799 Specdb::CMs 792960 Specdb::NmrOneD 283949 Specdb::NmrOneD 283950 Specdb::NmrOneD 283951 Specdb::NmrOneD 283952 Specdb::NmrOneD 283953 Specdb::NmrOneD 283954 Specdb::NmrOneD 283955 Specdb::NmrOneD 283956 Specdb::NmrOneD 283957 Specdb::NmrOneD 283958 Specdb::NmrOneD 283959 Specdb::NmrOneD 283960 Specdb::NmrOneD 283961 Specdb::NmrOneD 283962 Specdb::NmrOneD 283963 Specdb::NmrOneD 283964 Specdb::NmrOneD 283965 Specdb::NmrOneD 283966 Specdb::NmrOneD 283967 Specdb::NmrOneD 283968 Specdb::MsMs 2778023 Specdb::MsMs 2778024 Specdb::MsMs 2778025 Specdb::MsMs 2901390 Specdb::MsMs 2901391 Specdb::MsMs 2901392 HMDB07158 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 Yannai, Shmuel. (2004) Dictionary of food compounds with CD-ROM: Additives, flavors, and ingredients. Boca Raton: Chapman & Hall/CRC. Phosphatidylglycerophosphatase B P0A924 PGPB_ECOLI pgpB http://ecmdb.ca/proteins/P0A924.xml Diacylglycerol kinase P0ABN1 KDGL_ECOLI dgkA http://ecmdb.ca/proteins/P0ABN1.xml