1.0 2020-03-07 06:56:40 UTC 2020-04-22 17:58:13 UTC BMDB0083206 BMDB83206 TG(i-15:0/15:0/i-18:0) 1-isopentadecanoyl-2-pentadecanoyl-3-isooctadecanoyl-glycerol Tracylglycerol(i-15:0/15:0/i-18:0) Triacylglycerol TG(48:0) Triglyceride Tracylglycerol(48:0) TG(i-15:0/15:0/i-18:0) TAG(i-15:0/15:0/i-18:0) TAG(48:0) C51H98O6 807.339 806.736340876 (2R)-3-[(13-methyltetradecanoyl)oxy]-2-(pentadecanoyloxy)propyl 16-methylheptadecanoate (2R)-3-[(13-methyltetradecanoyl)oxy]-2-(pentadecanoyloxy)propyl 16-methylheptadecanoate [H][C@@](COC(=O)CCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCC InChI=1S/C51H98O6/c1-6-7-8-9-10-11-12-16-22-28-33-38-43-51(54)57-48(45-56-50(53)42-37-32-27-23-18-20-25-30-35-40-47(4)5)44-55-49(52)41-36-31-26-21-17-14-13-15-19-24-29-34-39-46(2)3/h46-48H,6-45H2,1-5H3/t48-/m1/s1 UQMVVGZHJOXIBJ-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)-3-[(13-methyltetradecanoyl)oxy]-2-(pentadecanoyloxy)propyl 16-methylheptadecanoate ChemAxon average_mass 807.339 ChemAxon mono_mass 806.736340876 ChemAxon smiles [H][C@@](COC(=O)CCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCC ChemAxon formula C51H98O6 ChemAxon inchi InChI=1S/C51H98O6/c1-6-7-8-9-10-11-12-16-22-28-33-38-43-51(54)57-48(45-56-50(53)42-37-32-27-23-18-20-25-30-35-40-47(4)5)44-55-49(52)41-36-31-26-21-17-14-13-15-19-24-29-34-39-46(2)3/h46-48H,6-45H2,1-5H3/t48-/m1/s1 ChemAxon inchikey UQMVVGZHJOXIBJ-QSCHNALKSA-N ChemAxon polar_surface_area 78.9 ChemAxon refractivity 241.19 ChemAxon polarizability 108.67 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::MsMs 606097 Specdb::MsMs 606098 Specdb::MsMs 606099 Specdb::MsMs 2581596 Specdb::MsMs 2581597 Specdb::MsMs 2581598 Specdb::MsMs 2709494 Specdb::MsMs 2709495 Specdb::MsMs 2709496 Specdb::MsMs 2725886 Specdb::MsMs 2725887 Specdb::MsMs 2725888 Specdb::MsMs 2789146 Specdb::MsMs 2789147 Specdb::MsMs 2789148 Specdb::MsMs 2995853 Specdb::MsMs 2995854 Specdb::MsMs 2995855 FDB073643 74865770 131809970