1.0 2020-03-07 06:33:05 UTC 2020-04-22 17:55:54 UTC BMDB0082843 BMDB82843 TG(a-15:0/a-13:0/21:0)[rac] 1-anteisopentadecanoyl-2-anteisotridecanoyl-3-heneicosyloyl-glycerol Triacylglycerol TG(a-15:0/a-13:0/21:0)[rac] TG(a-15:0/a-13:0/21:0) Tracylglycerol(a-15:0/a-13:0/21:0) Triglyceride Tracylglycerol(49:0) TAG(49:0) TG(49:0) TAG(a-15:0/a-13:0/21:0) C52H100O6 821.366 820.75199094 (2R)-2-[(10-methyldodecanoyl)oxy]-3-[(12-methyltetradecanoyl)oxy]propyl henicosanoate (2R)-2-[(10-methyldodecanoyl)oxy]-3-[(12-methyltetradecanoyl)oxy]propyl henicosanoate [H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCC(C)CC InChI=1S/C52H100O6/c1-6-9-10-11-12-13-14-15-16-17-18-19-20-21-22-26-32-37-42-50(53)56-45-49(58-52(55)44-39-34-29-28-31-36-41-48(5)8-3)46-57-51(54)43-38-33-27-24-23-25-30-35-40-47(4)7-2/h47-49H,6-46H2,1-5H3/t47?,48?,49-/m1/s1 HGVFVKHDPFHBFM-WNGNZBQBSA-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 10.51 ALOGPS logs -7.90 ALOGPS logp 19.05 ChemAxon pka_strongest_basic -6.6 ChemAxon iupac (2R)-2-[(10-methyldodecanoyl)oxy]-3-[(12-methyltetradecanoyl)oxy]propyl henicosanoate ChemAxon average_mass 821.366 ChemAxon mono_mass 820.75199094 ChemAxon smiles [H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCC(C)CC ChemAxon formula C52H100O6 ChemAxon inchi InChI=1S/C52H100O6/c1-6-9-10-11-12-13-14-15-16-17-18-19-20-21-22-26-32-37-42-50(53)56-45-49(58-52(55)44-39-34-29-28-31-36-41-48(5)8-3)46-57-51(54)43-38-33-27-24-23-25-30-35-40-47(4)7-2/h47-49H,6-46H2,1-5H3/t47?,48?,49-/m1/s1 ChemAxon inchikey HGVFVKHDPFHBFM-WNGNZBQBSA-N ChemAxon polar_surface_area 78.9 ChemAxon refractivity 245.79 ChemAxon polarizability 110.75 ChemAxon rotatable_bond_count 49 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 222681 Specdb::MsMs 615469 Specdb::MsMs 615470 Specdb::MsMs 615471 Specdb::MsMs 2339979 Specdb::MsMs 2339980 Specdb::MsMs 2339981 Specdb::MsMs 2576904 Specdb::MsMs 2576905 Specdb::MsMs 2576906 Specdb::MsMs 2602976 Specdb::MsMs 2602977 Specdb::MsMs 2602978 Specdb::MsMs 2626445 Specdb::MsMs 2626446 Specdb::MsMs 2626447 Specdb::MsMs 2701351 Specdb::MsMs 2701352 Specdb::MsMs 2701353 FDB073240 74865412 131809613