1.0 2020-03-07 09:21:47 UTC 2020-04-22 18:12:14 UTC BMDB0085416 BMDB85416 TG(i-16:0/a-15:0/i-13:0)[rac] 1-isohexadecanoyl-2-anteisopentadecanoyl-3-isotridecanoyl-glycerol TAG(i-16:0/a-15:0/i-13:0) Triacylglycerol TG(i-16:0/a-15:0/i-13:0) Tracylglycerol(i-16:0/a-15:0/i-13:0) Triglyceride TG(44:0) TAG(44:0) Tracylglycerol(44:0) TG(i-16:0/a-15:0/i-13:0)[rac] (2S)-3-[(11-Methyldodecanoyl)oxy]-2-[(12-methyltetradecanoyl)oxy]propyl 14-methylpentadecanoic acid C47H90O6 751.231 750.673740618 (2S)-3-[(11-methyldodecanoyl)oxy]-2-[(12-methyltetradecanoyl)oxy]propyl 14-methylpentadecanoate (2S)-3-[(11-methyldodecanoyl)oxy]-2-[(12-methyltetradecanoyl)oxy]propyl 14-methylpentadecanoate [H][C@](COC(=O)CCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCC(C)CC InChI=1S/C47H90O6/c1-7-43(6)35-29-23-17-12-13-19-26-32-38-47(50)53-44(40-52-46(49)37-31-25-20-14-16-22-28-34-42(4)5)39-51-45(48)36-30-24-18-11-9-8-10-15-21-27-33-41(2)3/h41-44H,7-40H2,1-6H3/t43?,44-/m0/s1 MEVXIGIVGIDPFC-GGEHFJKESA-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 9.93 ALOGPS logs -7.89 ALOGPS logp 16.67 ChemAxon pka_strongest_basic -6.6 ChemAxon iupac (2S)-3-[(11-methyldodecanoyl)oxy]-2-[(12-methyltetradecanoyl)oxy]propyl 14-methylpentadecanoate ChemAxon average_mass 751.231 ChemAxon mono_mass 750.673740618 ChemAxon smiles [H][C@](COC(=O)CCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCC(C)CC ChemAxon formula C47H90O6 ChemAxon inchi InChI=1S/C47H90O6/c1-7-43(6)35-29-23-17-12-13-19-26-32-38-47(50)53-44(40-52-46(49)37-31-25-20-14-16-22-28-34-42(4)5)39-51-45(48)36-30-24-18-11-9-8-10-15-21-27-33-41(2)3/h41-44H,7-40H2,1-6H3/t43?,44-/m0/s1 ChemAxon inchikey MEVXIGIVGIDPFC-GGEHFJKESA-N ChemAxon polar_surface_area 78.9 ChemAxon refractivity 222.73 ChemAxon polarizability 99.72 ChemAxon rotatable_bond_count 43 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 210651 Specdb::MsMs 656800 Specdb::MsMs 656801 Specdb::MsMs 656802 Specdb::MsMs 2329152 Specdb::MsMs 2329153 Specdb::MsMs 2329154 Specdb::MsMs 2471001 Specdb::MsMs 2471002 Specdb::MsMs 2471003 Specdb::MsMs 2495429 Specdb::MsMs 2495430 Specdb::MsMs 2495431 Specdb::MsMs 2868018 Specdb::MsMs 2868019 Specdb::MsMs 2868020 Specdb::MsMs 2974263 Specdb::MsMs 2974264 Specdb::MsMs 2974265 FDB075858 74867968 131812172