1.0 2020-03-04 21:51:45 UTC 2020-04-22 16:39:57 UTC BMDB0070877 BMDB70877 TG(21:0/a-25:0/i-14:0)[rac] 1-isotetradecanoyl-2-anteisopentacosanoyl-3-heneicosyloyl-glycerol TAG(i-14:0/a-25:0/21:0) Triacylglycerol TG(i-14:0/a-25:0/21:0) Tracylglycerol(i-14:0/a-25:0/21:0) Triglyceride TAG(60:0) Tracylglycerol(60:0) TG(60:0) TG(i-14:0/a-25:0/21:0)[rac] C63H122O6 975.663 974.924141648 (2R)-1-(henicosanoyloxy)-3-[(12-methyltridecanoyl)oxy]propan-2-yl 22-methyltetracosanoate (2R)-1-(henicosanoyloxy)-3-[(12-methyltridecanoyl)oxy]propan-2-yl 22-methyltetracosanoate CCCCCCCCCCCCCCCCCCCCC(=O)OC[C@H](COC(=O)CCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC InChI=1S/C63H122O6/c1-6-8-9-10-11-12-13-14-15-16-20-23-26-29-32-38-43-48-53-61(64)67-56-60(57-68-62(65)54-49-44-39-35-34-36-41-46-51-58(3)4)69-63(66)55-50-45-40-33-30-27-24-21-18-17-19-22-25-28-31-37-42-47-52-59(5)7-2/h58-60H,6-57H2,1-5H3/t59?,60-/m1/s1 ORRPKADCWOFUGU-UNMIHGIISA-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 10.57 ALOGPS logs -7.94 ALOGPS logp 23.94 ChemAxon pka_strongest_basic -6.6 ChemAxon iupac (2R)-1-(henicosanoyloxy)-3-[(12-methyltridecanoyl)oxy]propan-2-yl 22-methyltetracosanoate ChemAxon average_mass 975.663 ChemAxon mono_mass 974.924141648 ChemAxon smiles CCCCCCCCCCCCCCCCCCCCC(=O)OC[C@H](COC(=O)CCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC ChemAxon formula C63H122O6 ChemAxon inchi InChI=1S/C63H122O6/c1-6-8-9-10-11-12-13-14-15-16-20-23-26-29-32-38-43-48-53-61(64)67-56-60(57-68-62(65)54-49-44-39-35-34-36-41-46-51-58(3)4)69-63(66)55-50-45-40-33-30-27-24-21-18-17-19-22-25-28-31-37-42-47-52-59(5)7-2/h58-60H,6-57H2,1-5H3/t59?,60-/m1/s1 ChemAxon inchikey ORRPKADCWOFUGU-UNMIHGIISA-N ChemAxon polar_surface_area 78.9 ChemAxon refractivity 296.4 ChemAxon polarizability 134.27 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 671182 Specdb::MsMs 671183 Specdb::MsMs 671184 Specdb::MsMs 2378437 Specdb::MsMs 2378438 Specdb::MsMs 2378439 Specdb::MsMs 2384591 Specdb::MsMs 2384592 Specdb::MsMs 2384593 Specdb::MsMs 2529504 Specdb::MsMs 2529505 Specdb::MsMs 2529506 Specdb::MsMs 2577141 Specdb::MsMs 2577142 Specdb::MsMs 2577143 Specdb::MsMs 2908986 Specdb::MsMs 2908987 Specdb::MsMs 2908988 FDB072658 74864833 131809036