1.0 2020-03-06 04:09:13 UTC 2020-04-22 17:11:13 UTC BMDB0075775 BMDB75775 TG(10:0/a-15:0/20:0)[rac] 1-decanoyl-2-anteisopentadecanoyl-3-arachidoyl-glycerol TG(10:0/a-15:0/20:0) TG(45:0) Tag(10:0/a-15:0/20:0) Tag(45:0) Triacylglycerol(10:0/a-15:0/20:0) Triacylglycerol(45:0) Triacylglycerol Triglyceride 1-animal fats-2-anteisopentadecanoyl-3-eicosanoyl-glycerol Tracylglycerol(45:0) TG(10:0/a-15:0/20:0)[rac] 1-decanoic acid-2-anteisopentadecanoyl-3-arachidonyl-glycerol Tracylglycerol(10:0/a-15:0/20:0) C48H92O6 765.258 764.689390682 (2S)-3-(decanoyloxy)-2-[(12-methyltetradecanoyl)oxy]propyl icosanoate (2S)-3-(decanoyloxy)-2-[(12-methyltetradecanoyl)oxy]propyl icosanoate [H][C@](COC(=O)CCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCC(C)CC InChI=1S/C48H92O6/c1-5-8-10-12-14-15-16-17-18-19-20-21-22-23-28-32-36-40-47(50)53-43-45(42-52-46(49)39-35-31-26-13-11-9-6-2)54-48(51)41-37-33-29-25-24-27-30-34-38-44(4)7-3/h44-45H,5-43H2,1-4H3/t44?,45-/m0/s1 ZKGNJBZGYVTENV-AXFIPLKASA-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 10.43 ALOGPS logs -7.80 ALOGPS logp 17.43 ChemAxon pka_strongest_basic -6.6 ChemAxon iupac (2S)-3-(decanoyloxy)-2-[(12-methyltetradecanoyl)oxy]propyl icosanoate ChemAxon average_mass 765.258 ChemAxon mono_mass 764.689390682 ChemAxon smiles [H][C@](COC(=O)CCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCC(C)CC ChemAxon formula C48H92O6 ChemAxon inchi InChI=1S/C48H92O6/c1-5-8-10-12-14-15-16-17-18-19-20-21-22-23-28-32-36-40-47(50)53-43-45(42-52-46(49)39-35-31-26-13-11-9-6-2)54-48(51)41-37-33-29-25-24-27-30-34-38-44(4)7-3/h44-45H,5-43H2,1-4H3/t44?,45-/m0/s1 ChemAxon inchikey ZKGNJBZGYVTENV-AXFIPLKASA-N ChemAxon polar_surface_area 78.9 ChemAxon refractivity 227.43 ChemAxon polarizability 102.4 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 586315 Specdb::MsMs 586316 Specdb::MsMs 586317 Specdb::MsMs 2410303 Specdb::MsMs 2410304 Specdb::MsMs 2410305 Specdb::MsMs 2452357 Specdb::MsMs 2452358 Specdb::MsMs 2452359 Specdb::MsMs 2556033 Specdb::MsMs 2556034 Specdb::MsMs 2556035 Specdb::MsMs 2666527 Specdb::MsMs 2666528 Specdb::MsMs 2666529 Specdb::MsMs 3078285 Specdb::MsMs 3078286 Specdb::MsMs 3078287 FDB044405 131779201