1.0 2020-04-03 14:47:40 UTC 2020-04-03 14:47:41 UTC FDB097977 TG(16:0/16:1(9Z)/19:0)[iso6] C54H102O6 847.404 846.767641004 (2S)-2-[(9Z)-hexadec-9-enoyloxy]-3-(hexadecanoyloxy)propyl nonadecanoate (2S)-2-[(9Z)-hexadec-9-enoyloxy]-3-(hexadecanoyloxy)propyl nonadecanoate [H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCC InChI=1S/C54H102O6/c1-4-7-10-13-16-19-22-25-26-27-30-32-35-38-41-44-47-53(56)59-50-51(60-54(57)48-45-42-39-36-33-29-24-21-18-15-12-9-6-3)49-58-52(55)46-43-40-37-34-31-28-23-20-17-14-11-8-5-2/h21,24,51H,4-20,22-23,25-50H2,1-3H3/b24-21-/t51-/m0/s1 FSMDNWIRUAZATF-YMJSPMHCSA-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 10.70 ALOGPS logs -7.89 ALOGPS solubility 1.10e-05 g/l ALOGPS logp 19.9 ChemAxon pka_strongest_basic -6.6 ChemAxon iupac (2S)-2-[(9Z)-hexadec-9-enoyloxy]-3-(hexadecanoyloxy)propyl nonadecanoate ChemAxon average_mass 847.404 ChemAxon mono_mass 846.767641004 ChemAxon smiles [H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCC ChemAxon formula C54H102O6 ChemAxon inchi InChI=1S/C54H102O6/c1-4-7-10-13-16-19-22-25-26-27-30-32-35-38-41-44-47-53(56)59-50-51(60-54(57)48-45-42-39-36-33-29-24-21-18-15-12-9-6-3)49-58-52(55)46-43-40-37-34-31-28-23-20-17-14-11-8-5-2/h21,24,51H,4-20,22-23,25-50H2,1-3H3/b24-21-/t51-/m0/s1 ChemAxon inchikey FSMDNWIRUAZATF-YMJSPMHCSA-N ChemAxon polar_surface_area 78.9 ChemAxon refractivity 256.21 ChemAxon polarizability 114 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 109.75 302.0 2.0 uM