1.0 2020-03-07 02:28:12 UTC 2020-04-22 17:33:32 UTC BMDB0079296 BMDB79296 TG(a-13:0/a-17:0/a-17:0)[rac] 1-anteisotridecanoyl-2-anteisoheptadecanoyl-3-anteisoheptadecanoyl-glycerol TG(a-13:0/a-17:0/a-17:0) TG(a-13:0/a-17:0/a-17:0)[rac] Triacylglycerol Triglyceride TG(47:0) Tracylglycerol(47:0) TAG(47:0) TAG(a-13:0/a-17:0/a-17:0) Tracylglycerol(a-13:0/a-17:0/a-17:0) (2R)-1-[(10-Methyldodecanoyl)oxy]-3-[(14-methylhexadecanoyl)oxy]propan-2-yl 14-methylhexadecanoic acid C50H96O6 793.312 792.720690811 (2R)-1-[(10-methyldodecanoyl)oxy]-3-[(14-methylhexadecanoyl)oxy]propan-2-yl 14-methylhexadecanoate (2R)-1-[(10-methyldodecanoyl)oxy]-3-[(14-methylhexadecanoyl)oxy]propan-2-yl 14-methylhexadecanoate [H][C@@](COC(=O)CCCCCCCCCCCCC(C)CC)(COC(=O)CCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCC(C)CC InChI=1S/C50H96O6/c1-7-44(4)36-30-24-18-14-10-12-16-20-27-33-39-48(51)54-42-47(43-55-49(52)40-34-28-23-22-26-32-38-46(6)9-3)56-50(53)41-35-29-21-17-13-11-15-19-25-31-37-45(5)8-2/h44-47H,7-43H2,1-6H3/t44?,45?,46?,47-/m1/s1 CYXIPTXGOGMWRC-GYJJSOAFSA-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 10.23 ALOGPS logs -7.90 ALOGPS logp 18.01 ChemAxon pka_strongest_basic -6.6 ChemAxon iupac (2R)-1-[(10-methyldodecanoyl)oxy]-3-[(14-methylhexadecanoyl)oxy]propan-2-yl 14-methylhexadecanoate ChemAxon average_mass 793.312 ChemAxon mono_mass 792.720690811 ChemAxon smiles [H][C@@](COC(=O)CCCCCCCCCCCCC(C)CC)(COC(=O)CCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCC(C)CC ChemAxon formula C50H96O6 ChemAxon inchi InChI=1S/C50H96O6/c1-7-44(4)36-30-24-18-14-10-12-16-20-27-33-39-48(51)54-42-47(43-55-49(52)40-34-28-23-22-26-32-38-46(6)9-3)56-50(53)41-35-29-21-17-13-11-15-19-25-31-37-45(5)8-2/h44-47H,7-43H2,1-6H3/t44?,45?,46?,47-/m1/s1 ChemAxon inchikey CYXIPTXGOGMWRC-GYJJSOAFSA-N ChemAxon polar_surface_area 78.9 ChemAxon refractivity 236.53 ChemAxon polarizability 105.66 ChemAxon rotatable_bond_count 46 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 609754 Specdb::MsMs 609755 Specdb::MsMs 609756 Specdb::MsMs 2330130 Specdb::MsMs 2330131 Specdb::MsMs 2330132 Specdb::MsMs 2377777 Specdb::MsMs 2377778 Specdb::MsMs 2377779 Specdb::MsMs 2753116 Specdb::MsMs 2753117 Specdb::MsMs 2753118 Specdb::MsMs 2951934 Specdb::MsMs 2951935 Specdb::MsMs 2951936 Specdb::MsMs 2973285 Specdb::MsMs 2973286 Specdb::MsMs 2973287 FDB069692 131806076