2.0 2015-09-08 20:09:36 -0600 2015-12-09 14:07:49 -0700 ECMDB24788 M2MDB006905 DG(15:0cyclo/17:0cycw7c/0:0) DG(15:0cyclo/17:0cycw7c/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(15:0cyclo/17:0cycw7c/0:0) is also a substrate of diacylglycerol kinase. It is involved in the phospholipid metabolic pathway. C35H64O5 564.892 564.475375161 (2S)-3-{[8-(2-butylcyclopropyl)octanoyl]oxy}-2-hydroxypropyl 8-(2-hexylcyclopropyl)octanoate (2S)-3-{[8-(2-butylcyclopropyl)octanoyl]oxy}-2-hydroxypropyl 8-(2-hexylcyclopropyl)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-/m0/s1 CQUOHTZBGFKGST-HUFZRYMBSA-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 (2S)-3-{[8-(2-butylcyclopropyl)octanoyl]oxy}-2-hydroxypropyl 8-(2-hexylcyclopropyl)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-/m0/s1 ChemAxon inchikey CQUOHTZBGFKGST-HUFZRYMBSA-N ChemAxon polar_surface_area 72.83 ChemAxon refractivity 163.88 ChemAxon polarizability 72.26 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/17:0cycw7c/16:0/16:0) "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." PW001145 Metabolic Specdb::CMs 1088907 Specdb::NmrOneD 302525 Specdb::NmrOneD 302526 Specdb::NmrOneD 302527 Specdb::NmrOneD 302528 Specdb::NmrOneD 302529 Specdb::NmrOneD 302530 Specdb::NmrOneD 302531 Specdb::NmrOneD 302532 Specdb::NmrOneD 302533 Specdb::NmrOneD 302534 Specdb::NmrOneD 302535 Specdb::NmrOneD 302536 Specdb::NmrOneD 302537 Specdb::NmrOneD 302538 Specdb::NmrOneD 302539 Specdb::NmrOneD 302540 Specdb::NmrOneD 302541 Specdb::NmrOneD 302542 Specdb::NmrOneD 302543 Specdb::NmrOneD 302544 Specdb::MsMs 1239967 Specdb::MsMs 1239968 Specdb::MsMs 1239969 Specdb::MsMs 1355386 Specdb::MsMs 1355387 Specdb::MsMs 1355388 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(15:0cyclo/17:0cycw7c/0:0) + Cytidine triphosphate + Hydrogen ion > CDP-DG(15:0cyclo/17:0cycw7c) + Pyrophosphate PW_R005683