1.0 2020-03-07 09:25:18 UTC 2020-04-22 18:12:34 UTC BMDB0085469 BMDB85469 TG(i-16:0/i-15:0/16:0) 1-isohexadecanoyl-2-isopentadecanoyl-3-hexadecanoyl-glycerol Triacylglycerol TG(i-16:0/i-15:0/16:0) TAG(i-16:0/i-15:0/16:0) Triglyceride TG(47:0) 1-isohexadecanoyl-2-isopentadecanoyl-3-palmitoyl-glycerol Tracylglycerol(47:0) TAG(47:0) Tracylglycerol(i-16:0/i-15:0/16:0) (2R)-3-[(14-Methylpentadecanoyl)oxy]-2-[(13-methyltetradecanoyl)oxy]propyl hexadecanoic acid C50H96O6 793.312 792.720690811 (2R)-3-[(14-methylpentadecanoyl)oxy]-2-[(13-methyltetradecanoyl)oxy]propyl hexadecanoate (2R)-3-[(14-methylpentadecanoyl)oxy]-2-[(13-methyltetradecanoyl)oxy]propyl hexadecanoate [H][C@@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCC(C)C InChI=1S/C50H96O6/c1-6-7-8-9-10-11-12-13-14-20-25-30-35-40-48(51)54-43-47(56-50(53)42-37-32-27-22-17-19-24-29-34-39-46(4)5)44-55-49(52)41-36-31-26-21-16-15-18-23-28-33-38-45(2)3/h45-47H,6-44H2,1-5H3/t47-/m1/s1 HZKGQWWNXSCCKQ-QZNUWAOFSA-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 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 Aliphatic acyclic compounds logp 10.25 ALOGPS logs -7.87 ALOGPS logp 18.16 ChemAxon pka_strongest_basic -6.6 ChemAxon iupac (2R)-3-[(14-methylpentadecanoyl)oxy]-2-[(13-methyltetradecanoyl)oxy]propyl hexadecanoate ChemAxon average_mass 793.312 ChemAxon mono_mass 792.720690811 ChemAxon smiles [H][C@@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCC(C)C ChemAxon formula C50H96O6 ChemAxon inchi InChI=1S/C50H96O6/c1-6-7-8-9-10-11-12-13-14-20-25-30-35-40-48(51)54-43-47(56-50(53)42-37-32-27-22-17-19-24-29-34-39-46(4)5)44-55-49(52)41-36-31-26-21-16-15-18-23-28-33-38-45(2)3/h45-47H,6-44H2,1-5H3/t47-/m1/s1 ChemAxon inchikey HZKGQWWNXSCCKQ-QZNUWAOFSA-N ChemAxon polar_surface_area 78.9 ChemAxon refractivity 236.58 ChemAxon polarizability 106.51 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 201086 Specdb::MsMs 594331 Specdb::MsMs 594332 Specdb::MsMs 594333 Specdb::MsMs 2285965 Specdb::MsMs 2285966 Specdb::MsMs 2285967 Specdb::MsMs 2454073 Specdb::MsMs 2454074 Specdb::MsMs 2454075 Specdb::MsMs 2737127 Specdb::MsMs 2737128 Specdb::MsMs 2737129 Specdb::MsMs 2876675 Specdb::MsMs 2876676 Specdb::MsMs 2876677 Specdb::MsMs 3083301 Specdb::MsMs 3083302 Specdb::MsMs 3083303 FDB075911 74868021 131812222