2.0 2015-09-08 17:49:15 -0600 2015-12-09 15:39:53 -0700 ECMDB24090 M2MDB006207 DG(20:4(8Z,11Z,14Z,17Z)/20:1(11Z)/0:0) DG(20:4(8Z,11Z,14Z,17Z)/20:1(11Z)/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)/20:1(11Z)/0:0) is also a substrate of diacylglycerol kinase. It is involved in the phospholipid metabolic pathway. C43H74O5 671.06 670.553625483 (2R)-2-hydroxy-3-[(11Z)-icos-11-enoyloxy]propyl (8Z,11Z,14Z,17Z)-icosa-8,11,14,17-tetraenoate (2R)-2-hydroxy-3-[(11Z)-icos-11-enoyloxy]propyl (8Z,11Z,14Z,17Z)-icosa-8,11,14,17-tetraenoate [H][C@@](O)(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC InChI=1S/C43H74O5/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/h5,7,11,13,17-20,23,25,41,44H,3-4,6,8-10,12,14-16,21-22,24,26-40H2,1-2H3/b7-5-,13-11-,19-17-,20-18-,25-23-/t41-/m0/s1 MGNMWMMQKHUXCT-GHHPGRLNSA-N logp 10.12 ALOGPS logs -7.78 ALOGPS solubility 1.13e-05 g/l ALOGPS logp 13.75 ChemAxon pka_strongest_acidic 13.63 ChemAxon pka_strongest_basic -3.4 ChemAxon iupac (2R)-2-hydroxy-3-[(11Z)-icos-11-enoyloxy]propyl (8Z,11Z,14Z,17Z)-icosa-8,11,14,17-tetraenoate ChemAxon average_mass 671.06 ChemAxon mono_mass 670.553625483 ChemAxon smiles [H][C@@](O)(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC ChemAxon formula C43H74O5 ChemAxon inchi InChI=1S/C43H74O5/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/h5,7,11,13,17-20,23,25,41,44H,3-4,6,8-10,12,14-16,21-22,24,26-40H2,1-2H3/b7-5-,13-11-,19-17-,20-18-,25-23-/t41-/m0/s1 ChemAxon inchikey MGNMWMMQKHUXCT-GHHPGRLNSA-N ChemAxon polar_surface_area 72.83 ChemAxon refractivity 210.09 ChemAxon polarizability 86.07 ChemAxon rotatable_bond_count 37 ChemAxon acceptor_count 3 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 245188 Specdb::CMs 702708 Specdb::CMs 702709 Specdb::NmrOneD 264448 Specdb::NmrOneD 264449 Specdb::NmrOneD 264450 Specdb::NmrOneD 264451 Specdb::NmrOneD 264452 Specdb::NmrOneD 264453 Specdb::NmrOneD 264454 Specdb::NmrOneD 264455 Specdb::NmrOneD 264456 Specdb::NmrOneD 264457 Specdb::NmrOneD 264458 Specdb::NmrOneD 264459 Specdb::NmrOneD 264460 Specdb::NmrOneD 264461 Specdb::NmrOneD 264462 Specdb::NmrOneD 264463 Specdb::NmrOneD 264464 Specdb::NmrOneD 264465 Specdb::NmrOneD 264466 Specdb::NmrOneD 264467 Specdb::MsMs 1254274 Specdb::MsMs 1254275 Specdb::MsMs 1254276 Specdb::MsMs 1369480 Specdb::MsMs 1369481 Specdb::MsMs 1369482 Specdb::MsMs 2704136 Specdb::MsMs 2704137 Specdb::MsMs 2704138 Specdb::MsMs 3002050 Specdb::MsMs 3002051 Specdb::MsMs 3002052 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