1.0 2020-04-03 13:59:01 UTC 2020-04-03 13:59:02 UTC FDB097750 TG(17:0/18:4(6Z,9Z,12Z,15Z)/20:2(11Z,14Z))[iso6] C58H100O6 893.432 892.75199094 (2S)-3-(heptadecanoyloxy)-2-[(6Z,9Z,12Z,15Z)-octadeca-6,9,12,15-tetraenoyloxy]propyl (11Z,14Z)-icosa-11,14-dienoate (2S)-3-(heptadecanoyloxy)-2-[(6Z,9Z,12Z,15Z)-octadeca-6,9,12,15-tetraenoyloxy]propyl (11Z,14Z)-icosa-11,14-dienoate [H][C@](COC(=O)CCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC InChI=1S/C58H100O6/c1-4-7-10-13-16-19-22-25-28-29-31-33-36-39-42-45-48-51-57(60)63-54-55(53-62-56(59)50-47-44-41-38-35-32-27-24-21-18-15-12-9-6-3)64-58(61)52-49-46-43-40-37-34-30-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-20,25-26,28,30,37,40,55H,4-7,9-10,12-15,18,21-24,27,29,31-36,38-39,41-54H2,1-3H3/b11-8-,19-16-,20-17-,28-25-,30-26-,40-37-/t55-/m0/s1 RUIGDQLAZOLYQB-BNQAUGHOSA-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 10.75 ALOGPS logs -8.04 ALOGPS solubility 8.12e-06 g/l ALOGPS logp 19.86 ChemAxon pka_strongest_basic -6.6 ChemAxon iupac (2S)-3-(heptadecanoyloxy)-2-[(6Z,9Z,12Z,15Z)-octadeca-6,9,12,15-tetraenoyloxy]propyl (11Z,14Z)-icosa-11,14-dienoate ChemAxon average_mass 893.432 ChemAxon mono_mass 892.75199094 ChemAxon smiles [H][C@](COC(=O)CCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC ChemAxon formula C58H100O6 ChemAxon inchi InChI=1S/C58H100O6/c1-4-7-10-13-16-19-22-25-28-29-31-33-36-39-42-45-48-51-57(60)63-54-55(53-62-56(59)50-47-44-41-38-35-32-27-24-21-18-15-12-9-6-3)64-58(61)52-49-46-43-40-37-34-30-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-20,25-26,28,30,37,40,55H,4-7,9-10,12-15,18,21-24,27,29,31-36,38-39,41-54H2,1-3H3/b11-8-,19-16-,20-17-,28-25-,30-26-,40-37-/t55-/m0/s1 ChemAxon inchikey RUIGDQLAZOLYQB-BNQAUGHOSA-N ChemAxon polar_surface_area 78.9 ChemAxon refractivity 280.2 ChemAxon polarizability 116.43 ChemAxon rotatable_bond_count 51 ChemAxon acceptor_count 3 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Milk (Cow) Type 2 specific 156.4625 616.0 1.7 uM