2.0 2015-09-08 20:13:04 -0600 2015-09-14 11:20:16 -0600 ECMDB24834 M2MDB006951 DG(19:iso/19:0cycv8c/0:0) DG(19:iso/19:0cycv8c/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/19:0cycv8c/0:0) is also a substrate of diacylglycerol kinase. It is involved in the phospholipid metabolic pathway. C41H78O5 651.07 650.584925612 2-{[10-(2-hexylcyclopropyl)decanoyl]oxy}-3-hydroxypropyl 17-methyloctadecanoate 2-{[10-(2-hexylcyclopropyl)decanoyl]oxy}-3-hydroxypropyl 17-methyloctadecanoate CCCCCCC1CC1CCCCCCCCCC(=O)OC(CO)COC(=O)CCCCCCCCCCCCCCCC(C)C InChI=1S/C41H78O5/c1-4-5-6-24-29-37-33-38(37)30-25-20-16-14-18-22-27-32-41(44)46-39(34-42)35-45-40(43)31-26-21-17-13-11-9-7-8-10-12-15-19-23-28-36(2)3/h36-39,42H,4-35H2,1-3H3 NSQFOAKLLBEHFD-UHFFFAOYSA-N logp 10.34 ALOGPS logs -7.72 ALOGPS solubility 1.23e-05 g/l ALOGPS logp 13.73 ChemAxon pka_strongest_acidic 14.58 ChemAxon pka_strongest_basic -3 ChemAxon iupac 2-{[10-(2-hexylcyclopropyl)decanoyl]oxy}-3-hydroxypropyl 17-methyloctadecanoate ChemAxon average_mass 651.07 ChemAxon mono_mass 650.584925612 ChemAxon smiles CCCCCCC1CC1CCCCCCCCCC(=O)OC(CO)COC(=O)CCCCCCCCCCCCCCCC(C)C ChemAxon formula C41H78O5 ChemAxon inchi InChI=1S/C41H78O5/c1-4-5-6-24-29-37-33-38(37)30-25-20-16-14-18-22-27-32-41(44)46-39(34-42)35-45-40(43)31-26-21-17-13-11-9-7-8-10-12-15-19-23-28-36(2)3/h36-39,42H,4-35H2,1-3H3 ChemAxon inchikey NSQFOAKLLBEHFD-UHFFFAOYSA-N ChemAxon polar_surface_area 72.83 ChemAxon refractivity 193.35 ChemAxon polarizability 86.4 ChemAxon rotatable_bond_count 37 ChemAxon acceptor_count 3 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon phospholipid biosynthesis (CL(19:iso/19:0cycv8c/19:0/19:0)) 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. PW002008 Metabolic Specdb::CMs 1088996 Specdb::NmrOneD 249248 Specdb::NmrOneD 249249 Specdb::NmrOneD 249250 Specdb::NmrOneD 249251 Specdb::NmrOneD 249252 Specdb::NmrOneD 249253 Specdb::NmrOneD 249254 Specdb::NmrOneD 249255 Specdb::NmrOneD 249256 Specdb::NmrOneD 249257 Specdb::NmrOneD 249258 Specdb::NmrOneD 249259 Specdb::NmrOneD 249260 Specdb::NmrOneD 249261 Specdb::NmrOneD 249262 Specdb::NmrOneD 249263 Specdb::NmrOneD 249264 Specdb::NmrOneD 249265 Specdb::NmrOneD 249266 Specdb::NmrOneD 249267 Specdb::MsMs 28097 Specdb::MsMs 28098 Specdb::MsMs 28099 Specdb::MsMs 34655 Specdb::MsMs 34656 Specdb::MsMs 34657 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/19:0cycv8c/0:0) + Cytidine triphosphate + Hydrogen ion >2 CDP-DG(19:iso/19:0cycv8c) + Pyrophosphate PW_R005657