2.0 2015-09-08 17:49:15 -0600 2015-12-09 15:39:54 -0700 ECMDB24091 M2MDB006208 DG(20:4(8Z,11Z,14Z,17Z)/20:4(5Z,8Z,11Z,14Z)/0:0) DG(20:4(8Z,11Z,14Z,17Z)/20:4(5Z,8Z,11Z,14Z)/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(20:4(8Z,11Z,14Z,17Z)/20:4(5Z,8Z,11Z,14Z)/0:0) is also a substrate of diacylglycerol kinase. It is involved in the phospholipid metabolic pathway. C43H68O5 665.012 664.50667529 (2S)-2-hydroxy-3-[(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoyloxy]propyl (8Z,11Z,14Z,17Z)-icosa-8,11,14,17-tetraenoate (2S)-2-hydroxy-3-[(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoyloxy]propyl (8Z,11Z,14Z,17Z)-icosa-8,11,14,17-tetraenoate [H][C@](O)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC InChI=1S/C43H68O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-42(45)47-39-41(44)40-48-43(46)38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h5,7,11-14,17-20,23-26,30,32,41,44H,3-4,6,8-10,15-16,21-22,27-29,31,33-40H2,1-2H3/b7-5-,13-11-,14-12-,19-17-,20-18-,25-23-,26-24-,32-30-/t41-/m0/s1 PRGANJXLUCBZSQ-VANPREPPSA-N logp 8.65 ALOGPS logs -7.56 ALOGPS solubility 1.83e-05 g/l ALOGPS logp 12.66 ChemAxon pka_strongest_acidic 13.63 ChemAxon pka_strongest_basic -3.4 ChemAxon iupac (2S)-2-hydroxy-3-[(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoyloxy]propyl (8Z,11Z,14Z,17Z)-icosa-8,11,14,17-tetraenoate ChemAxon average_mass 665.012 ChemAxon mono_mass 664.50667529 ChemAxon smiles [H][C@](O)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC ChemAxon formula C43H68O5 ChemAxon inchi InChI=1S/C43H68O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-42(45)47-39-41(44)40-48-43(46)38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h5,7,11-14,17-20,23-26,30,32,41,44H,3-4,6,8-10,15-16,21-22,27-29,31,33-40H2,1-2H3/b7-5-,13-11-,14-12-,19-17-,20-18-,25-23-,26-24-,32-30-/t41-/m0/s1 ChemAxon inchikey PRGANJXLUCBZSQ-VANPREPPSA-N ChemAxon polar_surface_area 72.83 ChemAxon refractivity 213.44 ChemAxon polarizability 82.04 ChemAxon rotatable_bond_count 34 ChemAxon acceptor_count 3 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 676469 Specdb::CMs 676470 Specdb::NmrOneD 268348 Specdb::NmrOneD 268349 Specdb::NmrOneD 268350 Specdb::NmrOneD 268351 Specdb::NmrOneD 268352 Specdb::NmrOneD 268353 Specdb::NmrOneD 268354 Specdb::NmrOneD 268355 Specdb::NmrOneD 268356 Specdb::NmrOneD 268357 Specdb::NmrOneD 268358 Specdb::NmrOneD 268359 Specdb::NmrOneD 268360 Specdb::NmrOneD 268361 Specdb::NmrOneD 268362 Specdb::NmrOneD 268363 Specdb::NmrOneD 268364 Specdb::NmrOneD 268365 Specdb::NmrOneD 268366 Specdb::NmrOneD 268367 Specdb::MsMs 1279003 Specdb::MsMs 1279004 Specdb::MsMs 1279005 Specdb::MsMs 1393897 Specdb::MsMs 1393898 Specdb::MsMs 1393899 Specdb::MsMs 2731522 Specdb::MsMs 2731523 Specdb::MsMs 2731524 Specdb::MsMs 2977499 Specdb::MsMs 2977500 Specdb::MsMs 2977501 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