1.0 2020-03-07 05:01:26 UTC 2020-04-22 17:47:07 UTC BMDB0081448 BMDB81448 TG(i-14:0/i-17:0/17:0) 1-isotetradecanoyl-2-isoheptadecanoyl-3-margaroyl-glycerol Triacylglycerol 1-isotetradecanoyl-2-isoheptadecanoyl-3-heptadecanoyl-glycerol TG(48:0) Triglyceride Tracylglycerol(48:0) TG(i-14:0/i-17:0/17:0) Tracylglycerol(i-14:0/i-17:0/17:0) TAG(i-14:0/i-17:0/17:0) TAG(48:0) C51H98O6 807.339 806.736340876 (2R)-2-[(15-methylhexadecanoyl)oxy]-3-[(12-methyltridecanoyl)oxy]propyl heptadecanoate (2R)-2-[(15-methylhexadecanoyl)oxy]-3-[(12-methyltridecanoyl)oxy]propyl heptadecanoate [H][C@@](COC(=O)CCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCC(C)C InChI=1S/C51H98O6/c1-6-7-8-9-10-11-12-13-14-17-20-26-31-36-41-49(52)55-44-48(45-56-50(53)42-37-32-27-23-22-25-30-35-40-47(4)5)57-51(54)43-38-33-28-21-18-15-16-19-24-29-34-39-46(2)3/h46-48H,6-45H2,1-5H3/t48-/m1/s1 WJPYKBMVGZPMBJ-QSCHNALKSA-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 10.28 ALOGPS logs -7.87 ALOGPS logp 18.61 ChemAxon pka_strongest_basic -6.6 ChemAxon iupac (2R)-2-[(15-methylhexadecanoyl)oxy]-3-[(12-methyltridecanoyl)oxy]propyl heptadecanoate ChemAxon average_mass 807.339 ChemAxon mono_mass 806.736340876 ChemAxon smiles [H][C@@](COC(=O)CCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCC(C)C ChemAxon formula C51H98O6 ChemAxon inchi InChI=1S/C51H98O6/c1-6-7-8-9-10-11-12-13-14-17-20-26-31-36-41-49(52)55-44-48(45-56-50(53)42-37-32-27-23-22-25-30-35-40-47(4)5)57-51(54)43-38-33-28-21-18-15-16-19-24-29-34-39-46(2)3/h46-48H,6-45H2,1-5H3/t48-/m1/s1 ChemAxon inchikey WJPYKBMVGZPMBJ-QSCHNALKSA-N ChemAxon polar_surface_area 78.9 ChemAxon refractivity 241.19 ChemAxon polarizability 108.57 ChemAxon rotatable_bond_count 48 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 194247 Specdb::MsMs 641518 Specdb::MsMs 641519 Specdb::MsMs 641520 Specdb::MsMs 2375243 Specdb::MsMs 2375244 Specdb::MsMs 2375245 Specdb::MsMs 2698584 Specdb::MsMs 2698585 Specdb::MsMs 2698586 Specdb::MsMs 2910977 Specdb::MsMs 2910978 Specdb::MsMs 2910979 Specdb::MsMs 2983298 Specdb::MsMs 2983299 Specdb::MsMs 2983300 Specdb::MsMs 3091669 Specdb::MsMs 3091670 Specdb::MsMs 3091671 FDB071844 74864019 131808222