2.0 2015-09-08 20:13:12 -0600 2015-09-14 11:20:16 -0600 ECMDB24835 M2MDB006952 DG(19:iso/19:iso/0:0) DG(19:iso/19:iso/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(19:iso/19:iso/0:0) is also a substrate of diacylglycerol kinase. It is involved in the phospholipid metabolic pathway. C41H80O5 653.086 652.600575676 1-hydroxy-3-[(17-methyloctadecanoyl)oxy]propan-2-yl 17-methyloctadecanoate 1-hydroxy-3-[(17-methyloctadecanoyl)oxy]propan-2-yl 17-methyloctadecanoate CC(C)CCCCCCCCCCCCCCCC(=O)OCC(CO)OC(=O)CCCCCCCCCCCCCCCC(C)C InChI=1S/C41H80O5/c1-37(2)31-27-23-19-15-11-7-5-9-13-17-21-25-29-33-40(43)45-36-39(35-42)46-41(44)34-30-26-22-18-14-10-6-8-12-16-20-24-28-32-38(3)4/h37-39,42H,5-36H2,1-4H3 QFGRFHWYEFCAND-UHFFFAOYSA-N logp 10.23 ALOGPS logs -7.62 ALOGPS solubility 1.56e-05 g/l ALOGPS logp 14.36 ChemAxon pka_strongest_acidic 14.58 ChemAxon pka_strongest_basic -3 ChemAxon iupac 1-hydroxy-3-[(17-methyloctadecanoyl)oxy]propan-2-yl 17-methyloctadecanoate ChemAxon average_mass 653.086 ChemAxon mono_mass 652.600575676 ChemAxon smiles CC(C)CCCCCCCCCCCCCCCC(=O)OCC(CO)OC(=O)CCCCCCCCCCCCCCCC(C)C ChemAxon formula C41H80O5 ChemAxon inchi InChI=1S/C41H80O5/c1-37(2)31-27-23-19-15-11-7-5-9-13-17-21-25-29-33-40(43)45-36-39(35-42)46-41(44)34-30-26-22-18-14-10-6-8-12-16-20-24-28-32-38(3)4/h37-39,42H,5-36H2,1-4H3 ChemAxon inchikey QFGRFHWYEFCAND-UHFFFAOYSA-N ChemAxon polar_surface_area 72.83 ChemAxon refractivity 195.2 ChemAxon polarizability 87.96 ChemAxon rotatable_bond_count 38 ChemAxon acceptor_count 3 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon phospholipid biosynthesis (CL(19:iso/19:iso/19:iso/19:iso)) Phospholipids are membrane components in E. coli. The major phospholipids of E. coli are phosphatidylethanolamine, phosphatidylglycerol and cardiolipin. All phospholipids contain sn-glycerol-3-phosphate esterified with fatty acids at the sn-1 and sn-2 positions. The reaction starts from a glycerone phosphate (dihydroxyacetone phosphate) produced in glycolysis. The glycerone phosphate is transformed to a sn-glycerol 3-phosphate (glycerol 3 phosphate) by NADPH driven glycerol-3-phosphate dehydrogenase. Sn-glycerol 3-phosphate is transformed to a 1-acyl-sn-glycerol 3-phosphate(1-oleyl-2-lyso-phosphatidate , 1-palmitoylglycerol 3-phosphate , 1-stearoyl-sn-glycerol 3-phosphate). This can be achieve by a sn-glycerol-3-phosphate 1-0-acyltransferase that interacts either with a long-chain acyl-CoA or with an acyl-[acp]. The 1-acyl-sn-glycerol 3-phosphate is transformed into a 1,2-diacyl-sn-glycerol 3-phosphate through a 1-acylglycerol-3-phosphate O-acyltransferase. This compound is then converted into a CPD-diacylglycerol through a CTP (phosphatidate cytididyltransferase. CPD-diacylglycerol can be transformed either to a L-1-phosphatidylserine or a L-1-phosphatidylglycerol-phosphate through a phosphatidylserine synthase or a phosphatidylglycerophosphate synthase respectively. The L-1-phosphatidylserine transforms into L-1-phosphatidylethanolamine through a phosphatidylserine decarboxylase, o the other hand L-1-phosphatidylglycerol-phosphate gets transformed into a L-1-phosphatidyl-glycerol through a phosphatidylglycerophosphatase. These 2 products combines produce a cardiolipin and a ethanolamine. The L-1 phosphatidyl-glycerol can also interact with cardiolipin synthase resulting in a glycerol and a cardiolipin. PW002009 Metabolic Specdb::CMs 1089432 Specdb::NmrOneD 265968 Specdb::NmrOneD 265969 Specdb::NmrOneD 265970 Specdb::NmrOneD 265971 Specdb::NmrOneD 265972 Specdb::NmrOneD 265973 Specdb::NmrOneD 265974 Specdb::NmrOneD 265975 Specdb::NmrOneD 265976 Specdb::NmrOneD 265977 Specdb::NmrOneD 265978 Specdb::NmrOneD 265979 Specdb::NmrOneD 265980 Specdb::NmrOneD 265981 Specdb::NmrOneD 265982 Specdb::NmrOneD 265983 Specdb::NmrOneD 265984 Specdb::NmrOneD 265985 Specdb::NmrOneD 265986 Specdb::NmrOneD 265987 Specdb::MsMs 24398 Specdb::MsMs 24399 Specdb::MsMs 24400 Specdb::MsMs 30956 Specdb::MsMs 30957 Specdb::MsMs 30958 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 Phosphatidate cytidylyltransferase P0ABG1 CDSA_ECOLI cdsA http://ecmdb.ca/proteins/P0ABG1.xml 2 DG(19:iso/19:iso/0:0) + Cytidine triphosphate + Hydrogen ion >2 CDP-DG(19:iso/19:iso) + Pyrophosphate PW_R005661