1.0 2020-04-03 06:17:09 UTC 2020-04-03 06:17:11 UTC FDB097568 TG(14:1(9Z)/19:0/20:2(11Z,14Z))[iso6] C39H78NO8P 720.026 719.546505474 (2R)-2-(nonadecanoyloxy)-3-[(9Z)-tetradec-9-enoyloxy]propyl (11Z,14Z)-icosa-11,14-dienoate (2R)-2-(nonadecanoyloxy)-3-[(9Z)-tetradec-9-enoyloxy]propyl (11Z,14Z)-icosa-11,14-dienoate [H][C@@](COC(=O)CCCCCCCCCCCCCCCCC)(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCC InChI=1S/C39H78NO8P/c1-6-8-10-12-14-16-18-19-20-21-22-24-25-27-29-31-38(41)45-35-37(36-47-49(43,44)46-34-33-40(3,4)5)48-39(42)32-30-28-26-23-17-15-13-11-9-7-2/h37H,6-36H2,1-5H3/t37-/m1/s1 MBVGMFMZJMLHCN-DIPNUNPCSA-N belongs to the class of organic compounds known as triacylglycerols. These are glycerides consisting of three fatty acid chains covalently bonded to a glycerol molecule through ester linkages. Triacylglycerols Organic compounds Lipids and lipid-like molecules Glycerolipids Triradylcglycerols Aliphatic acyclic compounds Carbonyl compounds Carboxylic acid esters Fatty acid esters Hydrocarbon derivatives Organic oxides Tricarboxylic acids and derivatives Aliphatic acyclic compound Carbonyl group Carboxylic acid derivative Carboxylic acid ester Fatty acid ester Fatty acyl Hydrocarbon derivative Organic oxide Organic oxygen compound Organooxygen compound Triacyl-sn-glycerol Tricarboxylic acid or derivatives logp 10.82 ALOGPS logs -8.11 ALOGPS solubility 6.69e-06 g/l ALOGPS logp 20.06 ChemAxon pka_strongest_basic -6.6 ChemAxon iupac (2R)-2-(nonadecanoyloxy)-3-[(9Z)-tetradec-9-enoyloxy]propyl (11Z,14Z)-icosa-11,14-dienoate ChemAxon average_mass 720.026 ChemAxon mono_mass 719.546505474 ChemAxon smiles [H][C@@](COC(=O)CCCCCCCCCCCCCCCCC)(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCC ChemAxon formula C39H78NO8P ChemAxon inchi InChI=1S/C39H78NO8P/c1-6-8-10-12-14-16-18-19-20-21-22-24-25-27-29-31-38(41)45-35-37(36-47-49(43,44)46-34-33-40(3,4)5)48-39(42)32-30-28-26-23-17-15-13-11-9-7-2/h37H,6-36H2,1-5H3/t37-/m1/s1 ChemAxon inchikey MBVGMFMZJMLHCN-DIPNUNPCSA-N ChemAxon polar_surface_area 78.9 ChemAxon refractivity 267.65 ChemAxon polarizability 115.48 ChemAxon rotatable_bond_count 52 ChemAxon acceptor_count 3 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Milk (Cow) Type 2 specific 90.918333 659.0 0.58 uM