1.0 2020-03-04 23:53:56 UTC 2020-04-22 16:51:33 UTC BMDB0072700 BMDB72700 TG(a-25:0/i-14:0/i-18:0)[rac] 1-anteisopentacosanoyl-2-isotetradecanoyl-3-isooctadecanoyl-glycerol TG(a-25:0/i-14:0/i-18:0) TG(57:0) Tag(a-25:0/i-14:0/i-18:0) Tag(57:0) Triacylglycerol(a-25:0/i-14:0/i-18:0) Triacylglycerol(57:0) Triacylglycerol Triglyceride Tracylglycerol(a-25:0/i-14:0/i-18:0) TG(a-25:0/i-14:0/i-18:0)[rac] Tracylglycerol(57:0) C60H116O6 933.582 932.877191455 (2S)-3-[(16-methylheptadecanoyl)oxy]-2-[(12-methyltridecanoyl)oxy]propyl 22-methyltetracosanoate (2S)-3-[(16-methylheptadecanoyl)oxy]-2-[(12-methyltridecanoyl)oxy]propyl 22-methyltetracosanoate [H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC)(COC(=O)CCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCC(C)C InChI=1S/C60H116O6/c1-7-56(6)48-42-36-30-23-19-14-12-10-8-9-11-13-15-20-24-31-37-43-49-58(61)64-52-57(66-60(63)51-45-39-33-27-26-29-35-41-47-55(4)5)53-65-59(62)50-44-38-32-25-21-17-16-18-22-28-34-40-46-54(2)3/h54-57H,7-53H2,1-6H3/t56?,57-/m0/s1 SOASOSXECXQEEH-WAIPXTBSSA-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 10.45 ALOGPS logs -7.96 ALOGPS logp 22.45 ChemAxon pka_strongest_basic -6.6 ChemAxon iupac (2S)-3-[(16-methylheptadecanoyl)oxy]-2-[(12-methyltridecanoyl)oxy]propyl 22-methyltetracosanoate ChemAxon average_mass 933.582 ChemAxon mono_mass 932.877191455 ChemAxon smiles [H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC)(COC(=O)CCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCC(C)C ChemAxon formula C60H116O6 ChemAxon inchi InChI=1S/C60H116O6/c1-7-56(6)48-42-36-30-23-19-14-12-10-8-9-11-13-15-20-24-31-37-43-49-58(61)64-52-57(66-60(63)51-45-39-33-27-26-29-35-41-47-55(4)5)53-65-59(62)50-44-38-32-25-21-17-16-18-22-28-34-40-46-54(2)3/h54-57H,7-53H2,1-6H3/t56?,57-/m0/s1 ChemAxon inchikey SOASOSXECXQEEH-WAIPXTBSSA-N ChemAxon polar_surface_area 78.9 ChemAxon refractivity 282.54 ChemAxon polarizability 127.73 ChemAxon rotatable_bond_count 56 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 221894 Specdb::MsMs 657268 Specdb::MsMs 657269 Specdb::MsMs 657270 Specdb::MsMs 2428813 Specdb::MsMs 2428814 Specdb::MsMs 2428815 Specdb::MsMs 2459248 Specdb::MsMs 2459249 Specdb::MsMs 2459250 Specdb::MsMs 2475521 Specdb::MsMs 2475522 Specdb::MsMs 2475523 Specdb::MsMs 2646858 Specdb::MsMs 2646859 Specdb::MsMs 2646860 Specdb::MsMs 3105947 Specdb::MsMs 3105948 Specdb::MsMs 3105949 FDB041326 131776491