2.0 2015-09-08 19:02:24 -0600 2015-12-09 14:09:36 -0700 ECMDB24343 M2MDB006460 DG(18:1(11Z)/0:0/19:0) DG(18:1(11Z)/0:0/19:0) 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. C40H76O5 637.043 636.569275547 (2R)-1-hydroxy-3-[(11Z)-octadec-11-enoyloxy]propan-2-yl nonadecanoate (2R)-1-hydroxy-3-[(11Z)-octadec-11-enoyloxy]propan-2-yl nonadecanoate [H][C@@](CO)(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCCCCCCCCCCC InChI=1S/C40H76O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-40(43)45-38(36-41)37-44-39(42)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h14,16,38,41H,3-13,15,17-37H2,1-2H3/b16-14-/t38-/m1/s1 OXTGTYFYVCLOHR-GFPLNVHWSA-N logp 10.44 ALOGPS logs -7.60 ALOGPS solubility 1.58e-05 g/l ALOGPS logp 13.86 ChemAxon pka_strongest_acidic 14.58 ChemAxon pka_strongest_basic -3 ChemAxon iupac (2R)-1-hydroxy-3-[(11Z)-octadec-11-enoyloxy]propan-2-yl nonadecanoate ChemAxon average_mass 637.043 ChemAxon mono_mass 636.569275547 ChemAxon smiles [H][C@@](CO)(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCCCCCCCCCCC ChemAxon formula C40H76O5 ChemAxon inchi InChI=1S/C40H76O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-40(43)45-38(36-41)37-44-39(42)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h14,16,38,41H,3-13,15,17-37H2,1-2H3/b16-14-/t38-/m1/s1 ChemAxon inchikey OXTGTYFYVCLOHR-GFPLNVHWSA-N ChemAxon polar_surface_area 72.83 ChemAxon refractivity 191.82 ChemAxon polarizability 85.34 ChemAxon rotatable_bond_count 38 ChemAxon acceptor_count 3 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 1088794 Specdb::NmrOneD 295755 Specdb::NmrOneD 295756 Specdb::NmrOneD 295757 Specdb::NmrOneD 295758 Specdb::NmrOneD 295759 Specdb::NmrOneD 295760 Specdb::NmrOneD 295761 Specdb::NmrOneD 295762 Specdb::NmrOneD 295763 Specdb::NmrOneD 295764 Specdb::NmrOneD 295765 Specdb::NmrOneD 295766 Specdb::NmrOneD 295767 Specdb::NmrOneD 295768 Specdb::NmrOneD 295769 Specdb::NmrOneD 295770 Specdb::NmrOneD 295771 Specdb::NmrOneD 295772 Specdb::NmrOneD 295773 Specdb::NmrOneD 295774 Specdb::MsMs 1309885 Specdb::MsMs 1309886 Specdb::MsMs 1309887 Specdb::MsMs 1424386 Specdb::MsMs 1424387 Specdb::MsMs 1424388 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