1.0 2020-03-07 16:08:09 UTC 2020-04-22 18:50:55 UTC BMDB0091548 BMDB91548 TG(19:0/i-15:0/a-17:0)[rac] (2S)-3-[(14-Methylhexadecanoyl)oxy]-2-[(13-methyltetradecanoyl)oxy]propyl nonadecanoic acid 1-Nonadecanoyl-2-isopentadecanoyl-3-anteisoheptadecanoyl-glycerol Tracylglycerol(51:0) TG(51:0) Triacylglycerol Tracylglycerol(19:0/i-15:0/a-17:0) Triglyceride TG(19:0/i-15:0/a-17:0) TAG(51:0) TAG(19:0/i-15:0/a-17:0) TG(19:0/i-15:0/a-17:0)[rac] C54H104O6 849.42 848.783291069 (2S)-3-[(14-methylhexadecanoyl)oxy]-2-[(13-methyltetradecanoyl)oxy]propyl nonadecanoate (2S)-3-[(14-methylhexadecanoyl)oxy]-2-[(13-methyltetradecanoyl)oxy]propyl nonadecanoate [H][C@](COC(=O)CCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCC(C)C InChI=1S/C54H104O6/c1-6-8-9-10-11-12-13-14-15-16-17-18-24-29-34-39-44-52(55)58-47-51(60-54(57)46-41-36-31-26-21-22-27-32-37-42-49(3)4)48-59-53(56)45-40-35-30-25-20-19-23-28-33-38-43-50(5)7-2/h49-51H,6-48H2,1-5H3/t50?,51-/m0/s1 MMJFKONRRODHDC-NPGUAINNSA-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 10.49 ALOGPS logs -7.90 ALOGPS logp 19.94 ChemAxon pka_strongest_basic -6.6 ChemAxon iupac (2S)-3-[(14-methylhexadecanoyl)oxy]-2-[(13-methyltetradecanoyl)oxy]propyl nonadecanoate ChemAxon average_mass 849.42 ChemAxon mono_mass 848.783291069 ChemAxon smiles [H][C@](COC(=O)CCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCC(C)C ChemAxon formula C54H104O6 ChemAxon inchi InChI=1S/C54H104O6/c1-6-8-9-10-11-12-13-14-15-16-17-18-24-29-34-39-44-52(55)58-47-51(60-54(57)46-41-36-31-26-21-22-27-32-37-42-49(3)4)48-59-53(56)45-40-35-30-25-20-19-23-28-33-38-43-50(5)7-2/h49-51H,6-48H2,1-5H3/t50?,51-/m0/s1 ChemAxon inchikey MMJFKONRRODHDC-NPGUAINNSA-N ChemAxon polar_surface_area 78.9 ChemAxon refractivity 254.99 ChemAxon polarizability 114.89 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::MsMs 581845 Specdb::MsMs 581846 Specdb::MsMs 581847 Specdb::MsMs 2261545 Specdb::MsMs 2261546 Specdb::MsMs 2261547 Specdb::MsMs 2708546 Specdb::MsMs 2708547 Specdb::MsMs 2708548 Specdb::MsMs 2741887 Specdb::MsMs 2741888 Specdb::MsMs 2741889 Specdb::MsMs 2940821 Specdb::MsMs 2940822 Specdb::MsMs 2940823 Specdb::MsMs 3012059 Specdb::MsMs 3012060 Specdb::MsMs 3012061 74874048 FDB081987 131818170