2.0 2015-09-08 20:09:44 -0600 2015-12-09 14:07:53 -0700 ECMDB24790 M2MDB006907 DG(15:0cyclo/19:0cycv8c/0:0) DG(15:0cyclo/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(15:0cyclo/19:0cycv8c/0:0) is also a substrate of diacylglycerol kinase. It is involved in the phospholipid metabolic pathway. C37H68O5 592.946 592.50667529 (2R)-3-{[8-(2-butylcyclopropyl)octanoyl]oxy}-2-hydroxypropyl 10-(2-hexylcyclopropyl)decanoate (2R)-3-{[8-(2-butylcyclopropyl)octanoyl]oxy}-2-hydroxypropyl 10-(2-hexylcyclopropyl)decanoate [H][C@@](O)(COC(=O)CCCCCCCCCC1CC1CCCCCC)COC(=O)CCCCCCCC1CC1CCCC InChI=1S/C37H68O5/c1-3-5-7-16-22-33-28-34(33)24-17-12-9-8-10-14-19-25-36(39)41-29-35(38)30-42-37(40)26-20-15-11-13-18-23-32-27-31(32)21-6-4-2/h31-35,38H,3-30H2,1-2H3/t31?,32?,33?,34?,35-/m1/s1 KAAWSEQWJWYGRV-UASZDJHLSA-N logp 9.36 ALOGPS logs -7.71 ALOGPS solubility 1.17e-05 g/l ALOGPS logp 11.33 ChemAxon pka_strongest_acidic 13.63 ChemAxon pka_strongest_basic -3.4 ChemAxon iupac (2R)-3-{[8-(2-butylcyclopropyl)octanoyl]oxy}-2-hydroxypropyl 10-(2-hexylcyclopropyl)decanoate ChemAxon average_mass 592.946 ChemAxon mono_mass 592.50667529 ChemAxon smiles [H][C@@](O)(COC(=O)CCCCCCCCCC1CC1CCCCCC)COC(=O)CCCCCCCC1CC1CCCC ChemAxon formula C37H68O5 ChemAxon inchi InChI=1S/C37H68O5/c1-3-5-7-16-22-33-28-34(33)24-17-12-9-8-10-14-19-25-36(39)41-29-35(38)30-42-37(40)26-20-15-11-13-18-23-32-27-31(32)21-6-4-2/h31-35,38H,3-30H2,1-2H3/t31?,32?,33?,34?,35-/m1/s1 ChemAxon inchikey KAAWSEQWJWYGRV-UASZDJHLSA-N ChemAxon polar_surface_area 72.83 ChemAxon refractivity 173.09 ChemAxon polarizability 76.58 ChemAxon rotatable_bond_count 32 ChemAxon acceptor_count 3 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon phospholipid biosynthesis CL(15:0cyclo/19:0cycv8c/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." PW001189 Metabolic Specdb::CMs 1088981 Specdb::NmrOneD 291195 Specdb::NmrOneD 291196 Specdb::NmrOneD 291197 Specdb::NmrOneD 291198 Specdb::NmrOneD 291199 Specdb::NmrOneD 291200 Specdb::NmrOneD 291201 Specdb::NmrOneD 291202 Specdb::NmrOneD 291203 Specdb::NmrOneD 291204 Specdb::NmrOneD 291205 Specdb::NmrOneD 291206 Specdb::NmrOneD 291207 Specdb::NmrOneD 291208 Specdb::NmrOneD 291209 Specdb::NmrOneD 291210 Specdb::NmrOneD 291211 Specdb::NmrOneD 291212 Specdb::NmrOneD 291213 Specdb::NmrOneD 291214 Specdb::MsMs 1244263 Specdb::MsMs 1244264 Specdb::MsMs 1244265 Specdb::MsMs 1359628 Specdb::MsMs 1359629 Specdb::MsMs 1359630 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/19:0cycv8c/0:0) + Cytidine triphosphate + Hydrogen ion > CDP-DG(15:0cyclo/19:0cycv8c) + Pyrophosphate PW_R005684