1.0 2020-03-25 18:39:46 UTC 2020-04-22 19:11:30 UTC BMDB0098553 TG(16:0/14:0/18:3(9Z,12Z,15Z)) 1-Hexadecanoyl-2-tetradecanoyl-3-(9Z,12Z,15Z-octadeatrienoyl)-glycerol 1-Palmitoyl-2-myristoyl-3-a-linolenoyl-glycerol TAG(16:0/14:0/18:3) TAG(48:3) TG(16:0/14:0/18:3) TG(48:3) Tracylglycerol(16:0/14:0/18:3) Tracylglycerol(48:3) Triacylglycerol Triglyceride TG(16:0/14:0/18:3(9Z,12Z,15Z)) C51H92O6 801.291 800.689390682 (2S)-3-(hexadecanoyloxy)-2-(tetradecanoyloxy)propyl (9Z,12Z,15Z)-octadeca-9,12,15-trienoate (2S)-3-(hexadecanoyloxy)-2-(tetradecanoyloxy)propyl (9Z,12Z,15Z)-octadeca-9,12,15-trienoate [H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCC InChI=1S/C51H92O6/c1-4-7-10-13-16-19-22-24-25-27-30-32-35-38-41-44-50(53)56-47-48(57-51(54)45-42-39-36-33-28-21-18-15-12-9-6-3)46-55-49(52)43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h7,10,16,19,24-25,48H,4-6,8-9,11-15,17-18,20-23,26-47H2,1-3H3/b10-7-,19-16-,25-24-/t48-/m0/s1 VHZOVYGKZVQUEA-UFMXUTEYSA-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. Organic compounds Lipids and lipid-like molecules Glycerolipids Triradylcglycerols Triacylglycerols Carbonyl compounds Carboxylic acid esters Fatty acid esters Hydrocarbon derivatives Lineolic acids and 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 Octadecanoid Organic oxide Organic oxygen compound Organooxygen compound Triacyl-sn-glycerol Tricarboxylic acid or derivatives Aliphatic acyclic compounds logp 10.68 ALOGPS logs -8.09 ALOGPS logp 17.84 ChemAxon pka_strongest_basic -6.6 ChemAxon iupac (2S)-3-(hexadecanoyloxy)-2-(tetradecanoyloxy)propyl (9Z,12Z,15Z)-octadeca-9,12,15-trienoate ChemAxon average_mass 801.291 ChemAxon mono_mass 800.689390682 ChemAxon smiles [H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCC ChemAxon formula C51H92O6 ChemAxon inchi InChI=1S/C51H92O6/c1-4-7-10-13-16-19-22-24-25-27-30-32-35-38-41-44-50(53)56-47-48(57-51(54)45-42-39-36-33-28-21-18-15-12-9-6-3)46-55-49(52)43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h7,10,16,19,24-25,48H,4-6,8-9,11-15,17-18,20-23,26-47H2,1-3H3/b10-7-,19-16-,25-24-/t48-/m0/s1 ChemAxon inchikey VHZOVYGKZVQUEA-UFMXUTEYSA-N ChemAxon polar_surface_area 78.9 ChemAxon refractivity 244.64 ChemAxon polarizability 105.55 ChemAxon rotatable_bond_count 47 ChemAxon acceptor_count 3 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon number_of_rings 0 ChemAxon bioavailability 0 ChemAxon rule_of_five Yes ChemAxon ghose_filter Yes ChemAxon veber_rule Yes ChemAxon mddr_like_rule Yes ChemAxon Specdb::CMs 205737 Specdb::MsMs 576811 Specdb::MsMs 576812 Specdb::MsMs 576813 Specdb::MsMs 927214 Specdb::MsMs 927215 Specdb::MsMs 927216 Specdb::MsMs 2266725 Specdb::MsMs 2266726 Specdb::MsMs 2266727 Specdb::MsMs 2401340 Specdb::MsMs 2401341 Specdb::MsMs 2401342 Specdb::MsMs 2929821 Specdb::MsMs 2929822 Specdb::MsMs 2929823 Specdb::MsMs 3025662 Specdb::MsMs 3025663 Specdb::MsMs 3025664 Specdb::MsMs 3075681 Specdb::MsMs 3075682 Specdb::MsMs 3075683