2.0 2012-10-10 13:28:13 -0600 2015-12-09 14:08:07 -0700 ECMDB23283 M2MDB003673 DG(16:0/18:0/0:0) DG(16:0/18:0/0:0) 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(16:0/18:0/0:0) is also a substrate of diacylglycerol kinase. It is involved in the phospholipid metabolic pathway. 1-hexadecanoyl-2-octadecanoyl-sn-glycerol 1-palmitoyl-2-stearoyl-sn-glycerol DAG(16:0/18:0) DAG(34:0) DG(16:0/18:0) DG(34:0) Diacylglycerol Diacylglycerol(16:0/18:0) Diacylglycerol(34:0) Diglyceride C37H72O5 596.978 596.537975418 (2S)-3-(hexadecanoyloxy)-2-hydroxypropyl octadecanoate (2S)-3-(hexadecanoyloxy)-2-hydroxypropyl octadecanoate [H][C@](O)(COC(=O)CCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCCC InChI=1S/C37H72O5/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32-37(40)42-34-35(38)33-41-36(39)31-29-27-25-23-21-19-16-14-12-10-8-6-4-2/h35,38H,3-34H2,1-2H3/t35-/m0/s1 BFTGWUUHOMAGPO-DHUJRADRSA-N Membrane logp 10.18 ALOGPS logs -7.51 ALOGPS solubility 1.83e-05 g/l ALOGPS logp 12.89 ChemAxon pka_strongest_acidic 13.63 ChemAxon pka_strongest_basic -3.4 ChemAxon iupac (2S)-3-(hexadecanoyloxy)-2-hydroxypropyl octadecanoate ChemAxon average_mass 596.978 ChemAxon mono_mass 596.537975418 ChemAxon smiles [H][C@](O)(COC(=O)CCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCCC ChemAxon formula C37H72O5 ChemAxon inchi InChI=1S/C37H72O5/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32-37(40)42-34-35(38)33-41-36(39)31-29-27-25-23-21-19-16-14-12-10-8-6-4-2/h35,38H,3-34H2,1-2H3/t35-/m0/s1 ChemAxon inchikey BFTGWUUHOMAGPO-DHUJRADRSA-N ChemAxon polar_surface_area 72.83 ChemAxon refractivity 176.9 ChemAxon polarizability 80.24 ChemAxon rotatable_bond_count 36 ChemAxon acceptor_count 3 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 50010 Specdb::CMs 456426 Specdb::CMs 791964 Specdb::NmrOneD 250908 Specdb::NmrOneD 250909 Specdb::NmrOneD 250910 Specdb::NmrOneD 250911 Specdb::NmrOneD 250912 Specdb::NmrOneD 250913 Specdb::NmrOneD 250914 Specdb::NmrOneD 250915 Specdb::NmrOneD 250916 Specdb::NmrOneD 250917 Specdb::NmrOneD 250918 Specdb::NmrOneD 250919 Specdb::NmrOneD 250920 Specdb::NmrOneD 250921 Specdb::NmrOneD 250922 Specdb::NmrOneD 250923 Specdb::NmrOneD 250924 Specdb::NmrOneD 250925 Specdb::NmrOneD 250926 Specdb::NmrOneD 250927 Specdb::MsMs 2450506 Specdb::MsMs 2450507 Specdb::MsMs 2450508 Specdb::MsMs 2488527 Specdb::MsMs 2488528 Specdb::MsMs 2488529 HMDB07100 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