2.0 2015-09-08 20:10:40 -0600 2015-12-09 14:08:53 -0700 ECMDB24806 M2MDB006923 DG(17:0cycw7c/15:0cyclo/0:0) DG(17:0cycw7c/15:0cyclo/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(17:0cycw7c/15:0cyclo/0:0) is also a substrate of diacylglycerol kinase. It is involved in the phospholipid metabolic pathway. C35H64O5 564.892 564.475375161 (2R)-3-{[8-(2-hexylcyclopropyl)octanoyl]oxy}-2-hydroxypropyl 8-(2-butylcyclopropyl)octanoate (2R)-3-{[8-(2-hexylcyclopropyl)octanoyl]oxy}-2-hydroxypropyl 8-(2-butylcyclopropyl)octanoate [H][C@@](O)(COC(=O)CCCCCCCC1CC1CCCC)COC(=O)CCCCCCCC1CC1CCCCCC InChI=1S/C35H64O5/c1-3-5-7-14-20-31-26-32(31)22-16-11-9-13-18-24-35(38)40-28-33(36)27-39-34(37)23-17-12-8-10-15-21-30-25-29(30)19-6-4-2/h29-33,36H,3-28H2,1-2H3/t29?,30?,31?,32?,33-/m1/s1 CQUOHTZBGFKGST-CAYVVRKDSA-N logp 8.90 ALOGPS logs -7.58 ALOGPS solubility 1.48e-05 g/l ALOGPS logp 10.45 ChemAxon pka_strongest_acidic 13.63 ChemAxon pka_strongest_basic -3.4 ChemAxon iupac (2R)-3-{[8-(2-hexylcyclopropyl)octanoyl]oxy}-2-hydroxypropyl 8-(2-butylcyclopropyl)octanoate ChemAxon average_mass 564.892 ChemAxon mono_mass 564.475375161 ChemAxon smiles [H][C@@](O)(COC(=O)CCCCCCCC1CC1CCCC)COC(=O)CCCCCCCC1CC1CCCCCC ChemAxon formula C35H64O5 ChemAxon inchi InChI=1S/C35H64O5/c1-3-5-7-14-20-31-26-32(31)22-16-11-9-13-18-24-35(38)40-28-33(36)27-39-34(37)23-17-12-8-10-15-21-30-25-29(30)19-6-4-2/h29-33,36H,3-28H2,1-2H3/t29?,30?,31?,32?,33-/m1/s1 ChemAxon inchikey CQUOHTZBGFKGST-CAYVVRKDSA-N ChemAxon polar_surface_area 72.83 ChemAxon refractivity 163.88 ChemAxon polarizability 72.24 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(15:0cyclo/18:1(9Z)/17:0cycw7c/15:0cyclo) "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." PW001169 Metabolic Specdb::CMs 1089758 Specdb::EiMs 5617 Specdb::NmrOneD 326302 Specdb::NmrOneD 326303 Specdb::NmrOneD 326304 Specdb::NmrOneD 326305 Specdb::NmrOneD 326306 Specdb::NmrOneD 326307 Specdb::NmrOneD 326308 Specdb::NmrOneD 326309 Specdb::NmrOneD 326310 Specdb::NmrOneD 326311 Specdb::NmrOneD 326312 Specdb::NmrOneD 326313 Specdb::NmrOneD 326314 Specdb::NmrOneD 326315 Specdb::NmrOneD 326316 Specdb::NmrOneD 326317 Specdb::NmrOneD 326318 Specdb::NmrOneD 326319 Specdb::NmrOneD 326320 Specdb::NmrOneD 326321 Specdb::MsMs 1287679 Specdb::MsMs 1287680 Specdb::MsMs 1287681 Specdb::MsMs 1402456 Specdb::MsMs 1402457 Specdb::MsMs 1402458 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 DG(17:0cycw7c/15:0cyclo/0:0) + Cytidine triphosphate + Hydrogen ion > CDP-DG(17:0cycw7c/15:0cyclo) + Pyrophosphate PW_R005701