1.0 2020-03-04 18:56:10 UTC 2020-04-22 16:11:03 UTC BMDB0066313 BMDB66313 TG(i-19:0/a-25:0/a-17:0) 1-isononadecanoyl-2-anteisopentacosanoyl-3-anteisoheptadecanoyl-glycerol TG(i-19:0/a-25:0/a-17:0) TG(61:0) Tag(i-19:0/a-25:0/a-17:0) Tag(61:0) Triacylglycerol(i-19:0/a-25:0/a-17:0) Triacylglycerol(61:0) Triacylglycerol Triglyceride Tracylglycerol(i-19:0/a-25:0/a-17:0) Tracylglycerol(61:0) C64H124O6 989.69 988.939791713 (2S)-1-[(14-methylhexadecanoyl)oxy]-3-[(17-methyloctadecanoyl)oxy]propan-2-yl 22-methyltetracosanoate (2S)-1-[(14-methylhexadecanoyl)oxy]-3-[(17-methyloctadecanoyl)oxy]propan-2-yl 22-methyltetracosanoate [H][C@](COC(=O)CCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC InChI=1S/C64H124O6/c1-7-59(5)51-45-39-33-27-21-17-13-11-9-10-12-14-18-23-31-37-43-49-55-64(67)70-61(57-69-63(66)54-48-42-36-30-25-24-28-34-40-46-52-60(6)8-2)56-68-62(65)53-47-41-35-29-22-19-15-16-20-26-32-38-44-50-58(3)4/h58-61H,7-57H2,1-6H3/t59?,60?,61-/m0/s1 IDQMVOQWVONILJ-MRXWWTGASA-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 10.47 ALOGPS logs -7.95 ALOGPS logp 24.23 ChemAxon pka_strongest_basic -6.6 ChemAxon iupac (2S)-1-[(14-methylhexadecanoyl)oxy]-3-[(17-methyloctadecanoyl)oxy]propan-2-yl 22-methyltetracosanoate ChemAxon average_mass 989.69 ChemAxon mono_mass 988.939791713 ChemAxon smiles [H][C@](COC(=O)CCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC ChemAxon formula C64H124O6 ChemAxon inchi InChI=1S/C64H124O6/c1-7-59(5)51-45-39-33-27-21-17-13-11-9-10-12-14-18-23-31-37-43-49-55-64(67)70-61(57-69-63(66)54-48-42-36-30-25-24-28-34-40-46-52-60(6)8-2)56-68-62(65)53-47-41-35-29-22-19-15-16-20-26-32-38-44-50-58(3)4/h58-61H,7-57H2,1-6H3/t59?,60?,61-/m0/s1 ChemAxon inchikey IDQMVOQWVONILJ-MRXWWTGASA-N ChemAxon polar_surface_area 78.9 ChemAxon refractivity 300.95 ChemAxon polarizability 135.97 ChemAxon rotatable_bond_count 60 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 604078 Specdb::MsMs 604079 Specdb::MsMs 604080 Specdb::MsMs 2350354 Specdb::MsMs 2350355 Specdb::MsMs 2350356 Specdb::MsMs 2587903 Specdb::MsMs 2587904 Specdb::MsMs 2587905 Specdb::MsMs 2632391 Specdb::MsMs 2632392 Specdb::MsMs 2632393 Specdb::MsMs 2697483 Specdb::MsMs 2697484 Specdb::MsMs 2697485 Specdb::MsMs 2739454 Specdb::MsMs 2739455 Specdb::MsMs 2739456 FDB034969 131770603