2.0 2015-09-08 19:02:42 -0600 2015-12-09 14:11:23 -0700 ECMDB24349 M2MDB006466 DG(19:0/0:0/16:1(9Z)) DG(19:0/0:0/16:1(9Z)) 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. C38H72O5 608.989 608.537975418 (2R)-2-[(9Z)-hexadec-9-enoyloxy]-3-hydroxypropyl nonadecanoate (2R)-2-[(9Z)-hexadec-9-enoyloxy]-3-hydroxypropyl nonadecanoate [H][C@@](CO)(COC(=O)CCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCC InChI=1S/C38H72O5/c1-3-5-7-9-11-13-15-17-18-19-21-22-24-26-28-30-32-37(40)42-35-36(34-39)43-38(41)33-31-29-27-25-23-20-16-14-12-10-8-6-4-2/h14,16,36,39H,3-13,15,17-35H2,1-2H3/b16-14-/t36-/m1/s1 QKPXPWIZPQWQCJ-ZYODFBQNSA-N logp 10.23 ALOGPS logs -7.57 ALOGPS solubility 1.64e-05 g/l ALOGPS logp 12.97 ChemAxon pka_strongest_acidic 14.58 ChemAxon pka_strongest_basic -3 ChemAxon iupac (2R)-2-[(9Z)-hexadec-9-enoyloxy]-3-hydroxypropyl nonadecanoate ChemAxon average_mass 608.989 ChemAxon mono_mass 608.537975418 ChemAxon smiles [H][C@@](CO)(COC(=O)CCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCC ChemAxon formula C38H72O5 ChemAxon inchi InChI=1S/C38H72O5/c1-3-5-7-9-11-13-15-17-18-19-21-22-24-26-28-30-32-37(40)42-35-36(34-39)43-38(41)33-31-29-27-25-23-20-16-14-12-10-8-6-4-2/h14,16,36,39H,3-13,15,17-35H2,1-2H3/b16-14-/t36-/m1/s1 ChemAxon inchikey QKPXPWIZPQWQCJ-ZYODFBQNSA-N ChemAxon polar_surface_area 72.83 ChemAxon refractivity 182.62 ChemAxon polarizability 80.83 ChemAxon rotatable_bond_count 36 ChemAxon acceptor_count 3 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 1088531 Specdb::MsMs 3625671 Specdb::MsMs 3625672 Specdb::MsMs 3625673 Specdb::MsMs 3625674 Specdb::MsMs 3625675 Specdb::MsMs 3625676 Specdb::MsMs 3625677 Specdb::MsMs 3625678 Specdb::MsMs 3625679 Specdb::MsMs 3625680 Specdb::MsMs 3625681 Specdb::MsMs 3625682 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