2.0 2015-09-08 19:02:19 -0600 2015-12-09 14:09:30 -0700 ECMDB24341 M2MDB006458 DG(18:1(11Z)/0:0/18:0) DG(18:1(11Z)/0:0/18:0) 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. It is involved in the phospholipid metabolic pathway. C39H74O5 623.016 622.553625483 (2R)-3-hydroxy-2-(octadecanoyloxy)propyl (11Z)-octadec-11-enoate (2R)-3-hydroxy-2-(octadecanoyloxy)propyl (11Z)-octadec-11-enoate [H][C@@](CO)(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCCCCCCCCCC InChI=1S/C39H74O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-38(41)43-36-37(35-40)44-39(42)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h13,15,37,40H,3-12,14,16-36H2,1-2H3/b15-13-/t37-/m1/s1 FENDTVWNLRYBGG-IEHWZJNJSA-N logp 10.34 ALOGPS logs -7.59 ALOGPS solubility 1.60e-05 g/l ALOGPS logp 13.42 ChemAxon pka_strongest_acidic 14.58 ChemAxon pka_strongest_basic -3 ChemAxon iupac (2R)-3-hydroxy-2-(octadecanoyloxy)propyl (11Z)-octadec-11-enoate ChemAxon average_mass 623.016 ChemAxon mono_mass 622.553625483 ChemAxon smiles [H][C@@](CO)(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCCCCCCCCCC ChemAxon formula C39H74O5 ChemAxon inchi InChI=1S/C39H74O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-38(41)43-36-37(35-40)44-39(42)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h13,15,37,40H,3-12,14,16-36H2,1-2H3/b15-13-/t37-/m1/s1 ChemAxon inchikey FENDTVWNLRYBGG-IEHWZJNJSA-N ChemAxon polar_surface_area 72.83 ChemAxon refractivity 187.22 ChemAxon polarizability 83.11 ChemAxon rotatable_bond_count 37 ChemAxon acceptor_count 3 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 1089462 Specdb::NmrOneD 270118 Specdb::NmrOneD 270119 Specdb::NmrOneD 270120 Specdb::NmrOneD 270121 Specdb::NmrOneD 270122 Specdb::NmrOneD 270123 Specdb::NmrOneD 270124 Specdb::NmrOneD 270125 Specdb::NmrOneD 270126 Specdb::NmrOneD 270127 Specdb::NmrOneD 270128 Specdb::NmrOneD 270129 Specdb::NmrOneD 270130 Specdb::NmrOneD 270131 Specdb::NmrOneD 270132 Specdb::NmrOneD 270133 Specdb::NmrOneD 270134 Specdb::NmrOneD 270135 Specdb::NmrOneD 270136 Specdb::NmrOneD 270137 Specdb::MsMs 1247458 Specdb::MsMs 1247459 Specdb::MsMs 1247460 Specdb::MsMs 1362787 Specdb::MsMs 1362788 Specdb::MsMs 1362789 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(18:1(11Z)/0:0/18:0) + Cytidine triphosphate + Hydrogen ion > CDP-DG(18:1(11Z)/18:0) + Pyrophosphate PW_R005704