1.0 2020-03-05 04:01:39 UTC 2020-04-22 16:54:29 UTC BMDB0073165 BMDB73165 TG(a-25:0/i-18:0/8:0)[rac] 1-anteisopentacosanoyl-2-isooctadecanoyl-3-capryloyl-glycerol TG(a-25:0/i-18:0/8:0) TG(51:0) Tag(a-25:0/i-18:0/8:0) Tag(51:0) Triacylglycerol(a-25:0/i-18:0/8:0) Triacylglycerol(51:0) Triacylglycerol Triglyceride Tracylglycerol(51:0) 1-anteisopentacosanoyl-2-isooctadecanoyl-3-octanoyl-glycerol TG(a-25:0/i-18:0/8:0)[rac] Tracylglycerol(a-25:0/i-18:0/8:0) C54H104O6 849.42 848.783291069 (2R)-2-[(16-methylheptadecanoyl)oxy]-3-(octanoyloxy)propyl 22-methyltetracosanoate (2R)-2-[(16-methylheptadecanoyl)oxy]-3-(octanoyloxy)propyl 22-methyltetracosanoate [H][C@@](COC(=O)CCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCC(C)C InChI=1S/C54H104O6/c1-6-8-9-32-39-44-52(55)58-47-51(60-54(57)46-41-36-31-27-23-19-18-20-24-28-33-37-42-49(3)4)48-59-53(56)45-40-35-30-26-22-17-15-13-11-10-12-14-16-21-25-29-34-38-43-50(5)7-2/h49-51H,6-48H2,1-5H3/t50?,51-/m1/s1 OYAXYTFARCGEOU-HUWKAXHXSA-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 10.54 ALOGPS logs -7.90 ALOGPS logp 19.94 ChemAxon pka_strongest_basic -6.6 ChemAxon iupac (2R)-2-[(16-methylheptadecanoyl)oxy]-3-(octanoyloxy)propyl 22-methyltetracosanoate ChemAxon average_mass 849.42 ChemAxon mono_mass 848.783291069 ChemAxon smiles [H][C@@](COC(=O)CCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCC(C)C ChemAxon formula C54H104O6 ChemAxon inchi InChI=1S/C54H104O6/c1-6-8-9-32-39-44-52(55)58-47-51(60-54(57)46-41-36-31-27-23-19-18-20-24-28-33-37-42-49(3)4)48-59-53(56)45-40-35-30-26-22-17-15-13-11-10-12-14-16-21-25-29-34-38-43-50(5)7-2/h49-51H,6-48H2,1-5H3/t50?,51-/m1/s1 ChemAxon inchikey OYAXYTFARCGEOU-HUWKAXHXSA-N ChemAxon polar_surface_area 78.9 ChemAxon refractivity 254.99 ChemAxon polarizability 115.27 ChemAxon rotatable_bond_count 51 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 231272 Specdb::MsMs 643018 Specdb::MsMs 643019 Specdb::MsMs 643020 Specdb::MsMs 2389118 Specdb::MsMs 2389119 Specdb::MsMs 2389120 Specdb::MsMs 2418310 Specdb::MsMs 2418311 Specdb::MsMs 2418312 Specdb::MsMs 2496617 Specdb::MsMs 2496618 Specdb::MsMs 2496619 Specdb::MsMs 2543594 Specdb::MsMs 2543595 Specdb::MsMs 2543596 Specdb::MsMs 2924374 Specdb::MsMs 2924375 Specdb::MsMs 2924376 131776877 FDB041789