1.0 2020-03-07 06:56:17 UTC 2020-04-22 17:58:11 UTC BMDB0083200 BMDB83200 TG(a-15:0/a-15:0/i-18:0)[rac] 1-anteisopentadecanoyl-2-anteisopentadecanoyl-3-isooctadecanoyl-glycerol TAG(a-15:0/a-15:0/i-18:0) Triacylglycerol TG(a-15:0/a-15:0/i-18:0) TG(48:0) Triglyceride Tracylglycerol(48:0) Tracylglycerol(a-15:0/a-15:0/i-18:0) TG(a-15:0/a-15:0/i-18:0)[rac] TAG(48:0) C51H98O6 807.339 806.736340876 (2R)-2,3-bis[(12-methyltetradecanoyl)oxy]propyl 16-methylheptadecanoate (2R)-2,3-bis[(12-methyltetradecanoyl)oxy]propyl 16-methylheptadecanoate [H][C@@](COC(=O)CCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCC(C)CC InChI=1S/C51H98O6/c1-7-46(5)38-32-26-20-15-17-23-29-35-41-50(53)56-44-48(57-51(54)42-36-30-24-18-16-21-27-33-39-47(6)8-2)43-55-49(52)40-34-28-22-14-12-10-9-11-13-19-25-31-37-45(3)4/h45-48H,7-44H2,1-6H3/t46?,47?,48-/m1/s1 LXDGBTDOCZCEIO-OCPMVZMQSA-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 10.22 ALOGPS logs -7.92 ALOGPS logp 18.45 ChemAxon pka_strongest_basic -6.6 ChemAxon iupac (2R)-2,3-bis[(12-methyltetradecanoyl)oxy]propyl 16-methylheptadecanoate ChemAxon average_mass 807.339 ChemAxon mono_mass 806.736340876 ChemAxon smiles [H][C@@](COC(=O)CCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCC(C)CC ChemAxon formula C51H98O6 ChemAxon inchi InChI=1S/C51H98O6/c1-7-46(5)38-32-26-20-15-17-23-29-35-41-50(53)56-44-48(57-51(54)42-36-30-24-18-16-21-27-33-39-47(6)8-2)43-55-49(52)40-34-28-22-14-12-10-9-11-13-19-25-31-37-45(3)4/h45-48H,7-44H2,1-6H3/t46?,47?,48-/m1/s1 ChemAxon inchikey LXDGBTDOCZCEIO-OCPMVZMQSA-N ChemAxon polar_surface_area 78.9 ChemAxon refractivity 241.13 ChemAxon polarizability 108.2 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::MsMs 603655 Specdb::MsMs 603656 Specdb::MsMs 603657 Specdb::MsMs 2427499 Specdb::MsMs 2427500 Specdb::MsMs 2427501 Specdb::MsMs 2849165 Specdb::MsMs 2849166 Specdb::MsMs 2849167 Specdb::MsMs 2954616 Specdb::MsMs 2954617 Specdb::MsMs 2954618 Specdb::MsMs 3049505 Specdb::MsMs 3049506 Specdb::MsMs 3049507 Specdb::MsMs 3117605 Specdb::MsMs 3117606 Specdb::MsMs 3117607 FDB073637 74865764 131809964