1.0 2020-04-03 13:55:30 UTC 2020-04-03 13:55:31 UTC FDB097720 TG(14:1(9Z)/14:1(9Z)/20:1(11Z))[iso3] C40H80NO8P 734.0389 733.562155053 (2R)-2,3-bis[(9Z)-tetradec-9-enoyloxy]propyl (11Z)-icos-11-enoate (2R)-2,3-bis[(9Z)-tetradec-9-enoyloxy]propyl (11Z)-icos-11-enoate [H][C@@](COC(=O)CCCCCCCCCCC)(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCCCCCCCC InChI=1S/C40H80NO8P/c1-6-8-10-12-14-16-17-18-19-20-21-22-23-25-27-29-31-33-40(43)49-38(37-48-50(44,45)47-35-34-41(3,4)5)36-46-39(42)32-30-28-26-24-15-13-11-9-7-2/h38H,6-37H2,1-5H3/t38-/m1/s1 UZNWSMIOMFUEDK-KXQOOQHDSA-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 10.63 ALOGPS logs -8.07 ALOGPS solubility 6.85e-06 g/l ALOGPS logp 17.84 ChemAxon pka_strongest_basic -6.6 ChemAxon iupac (2R)-2,3-bis[(9Z)-tetradec-9-enoyloxy]propyl (11Z)-icos-11-enoate ChemAxon average_mass 734.0389 ChemAxon mono_mass 733.562155053 ChemAxon smiles [H][C@@](COC(=O)CCCCCCCCCCC)(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCCCCCCCC ChemAxon formula C40H80NO8P ChemAxon inchi InChI=1S/C40H80NO8P/c1-6-8-10-12-14-16-17-18-19-20-21-22-23-25-27-29-31-33-40(43)49-38(37-48-50(44,45)47-35-34-41(3,4)5)36-46-39(42)32-30-28-26-24-15-13-11-9-7-2/h38H,6-37H2,1-5H3/t38-/m1/s1 ChemAxon inchikey UZNWSMIOMFUEDK-KXQOOQHDSA-N ChemAxon polar_surface_area 78.9 ChemAxon refractivity 244.64 ChemAxon polarizability 105 ChemAxon rotatable_bond_count 47 ChemAxon acceptor_count 3 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 612967 Specdb::MsMs 612968 Specdb::MsMs 612969 Specdb::MsMs 941788 Specdb::MsMs 941789 Specdb::MsMs 941790 Specdb::MsMs 2322853 Specdb::MsMs 2322854 Specdb::MsMs 2322855 Specdb::MsMs 2357364 Specdb::MsMs 2357365 Specdb::MsMs 2357366 Specdb::MsMs 2616171 Specdb::MsMs 2616172 Specdb::MsMs 2616173 Specdb::MsMs 2696490 Specdb::MsMs 2696491 Specdb::MsMs 2696492 Specdb::MsMs 3000505 Specdb::MsMs 3000506 Specdb::MsMs 3000507 Milk (Cow) Type 2 specific 163.533333 738.0 1.6 uM