2.0 2015-09-08 20:12:30 -0600 2015-09-14 11:20:15 -0600 ECMDB24828 M2MDB006945 DG(19:iso/10:0/0:0) DG(19:iso/10:0/0:0) 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(19:iso/10:0/0:0) is also a substrate of diacylglycerol kinase. It is involved in the phospholipid metabolic pathway. C32H62O5 526.843 526.459725096 2-(decanoyloxy)-3-hydroxypropyl 17-methyloctadecanoate 2-(decanoyloxy)-3-hydroxypropyl 17-methyloctadecanoate CCCCCCCCCC(=O)OC(CO)COC(=O)CCCCCCCCCCCCCCCC(C)C InChI=1S/C32H62O5/c1-4-5-6-7-15-20-23-26-32(35)37-30(27-33)28-36-31(34)25-22-19-17-14-12-10-8-9-11-13-16-18-21-24-29(2)3/h29-30,33H,4-28H2,1-3H3 QGBHXWNSUXLQQU-UHFFFAOYSA-N logp 9.29 ALOGPS logs -7.28 ALOGPS solubility 2.76e-05 g/l ALOGPS logp 10.51 ChemAxon pka_strongest_acidic 14.58 ChemAxon pka_strongest_basic -3 ChemAxon iupac 2-(decanoyloxy)-3-hydroxypropyl 17-methyloctadecanoate ChemAxon average_mass 526.843 ChemAxon mono_mass 526.459725096 ChemAxon smiles CCCCCCCCCC(=O)OC(CO)COC(=O)CCCCCCCCCCCCCCCC(C)C ChemAxon formula C32H62O5 ChemAxon inchi InChI=1S/C32H62O5/c1-4-5-6-7-15-20-23-26-32(35)37-30(27-33)28-36-31(34)25-22-19-17-14-12-10-8-9-11-13-16-18-21-24-29(2)3/h29-30,33H,4-28H2,1-3H3 ChemAxon inchikey QGBHXWNSUXLQQU-UHFFFAOYSA-N ChemAxon polar_surface_area 72.83 ChemAxon refractivity 153.84 ChemAxon polarizability 69.1 ChemAxon rotatable_bond_count 30 ChemAxon acceptor_count 3 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon phospholipid biosynthesis (CL(19:iso/10:0/19:iso/10:0)) 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. PW001998 Metabolic Specdb::CMs 1090186 Specdb::NmrOneD 249068 Specdb::NmrOneD 249069 Specdb::NmrOneD 249070 Specdb::NmrOneD 249071 Specdb::NmrOneD 249072 Specdb::NmrOneD 249073 Specdb::NmrOneD 249074 Specdb::NmrOneD 249075 Specdb::NmrOneD 249076 Specdb::NmrOneD 249077 Specdb::NmrOneD 249078 Specdb::NmrOneD 249079 Specdb::NmrOneD 249080 Specdb::NmrOneD 249081 Specdb::NmrOneD 249082 Specdb::NmrOneD 249083 Specdb::NmrOneD 249084 Specdb::NmrOneD 249085 Specdb::NmrOneD 249086 Specdb::NmrOneD 249087 Specdb::MsMs 28076 Specdb::MsMs 28077 Specdb::MsMs 28078 Specdb::MsMs 34634 Specdb::MsMs 34635 Specdb::MsMs 34636 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/10:0/0:0) + Cytidine triphosphate + Hydrogen ion >2 CDP-DG(19:iso/10:0) + Pyrophosphate PW_R005625