1.0 2020-03-04 20:14:29 UTC 2020-04-22 16:26:37 UTC BMDB0068773 BMDB68773 TG(a-21:0/10:0/a-15:0)[rac] 1-anteisoheneicosanoyl-2-decanoyl-3-anteisopentadecanoyl-glycerol TG(a-21:0/10:0/a-15:0) TG(46:0) Tag(a-21:0/10:0/a-15:0) Tag(46:0) Triacylglycerol(a-21:0/10:0/a-15:0) Triacylglycerol(46:0) Triacylglycerol Triglyceride 1-anteisoheneicosanoyl-2-animal fats-3-anteisopentadecanoyl-glycerol Tracylglycerol(a-21:0/10:0/a-15:0) Tracylglycerol(46:0) 1-anteisoheneicosanoyl-2-decanoic acid-3-anteisopentadecanoyl-glycerol TG(a-21:0/10:0/a-15:0)[rac] C49H94O6 779.285 778.705040747 (2S)-2-(decanoyloxy)-3-[(12-methyltetradecanoyl)oxy]propyl 18-methylicosanoate (2S)-2-(decanoyloxy)-3-[(12-methyltetradecanoyl)oxy]propyl 18-methylicosanoate [H][C@](COC(=O)CCCCCCCCCCCCCCCCC(C)CC)(COC(=O)CCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCC InChI=1S/C49H94O6/c1-6-9-10-11-22-31-36-41-49(52)55-46(43-54-48(51)40-35-30-26-21-20-24-28-33-38-45(5)8-3)42-53-47(50)39-34-29-25-19-17-15-13-12-14-16-18-23-27-32-37-44(4)7-2/h44-46H,6-43H2,1-5H3/t44?,45?,46-/m0/s1 OYDWDZFTGJKLJP-DZJLPJKCSA-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 10.33 ALOGPS logs -7.85 ALOGPS logp 17.72 ChemAxon pka_strongest_basic -6.6 ChemAxon iupac (2S)-2-(decanoyloxy)-3-[(12-methyltetradecanoyl)oxy]propyl 18-methylicosanoate ChemAxon average_mass 779.285 ChemAxon mono_mass 778.705040747 ChemAxon smiles [H][C@](COC(=O)CCCCCCCCCCCCCCCCC(C)CC)(COC(=O)CCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCC ChemAxon formula C49H94O6 ChemAxon inchi InChI=1S/C49H94O6/c1-6-9-10-11-22-31-36-41-49(52)55-46(43-54-48(51)40-35-30-26-21-20-24-28-33-38-45(5)8-3)42-53-47(50)39-34-29-25-19-17-15-13-12-14-16-18-23-27-32-37-44(4)7-2/h44-46H,6-43H2,1-5H3/t44?,45?,46-/m0/s1 ChemAxon inchikey OYDWDZFTGJKLJP-DZJLPJKCSA-N ChemAxon polar_surface_area 78.9 ChemAxon refractivity 231.98 ChemAxon polarizability 104.2 ChemAxon rotatable_bond_count 46 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 238047 Specdb::MsMs 680320 Specdb::MsMs 680321 Specdb::MsMs 680322 Specdb::MsMs 968713 Specdb::MsMs 968714 Specdb::MsMs 968715 Specdb::MsMs 2449465 Specdb::MsMs 2449466 Specdb::MsMs 2449467 Specdb::MsMs 2451283 Specdb::MsMs 2451284 Specdb::MsMs 2451285 Specdb::MsMs 2721183 Specdb::MsMs 2721184 Specdb::MsMs 2721185 Specdb::MsMs 2877467 Specdb::MsMs 2877468 Specdb::MsMs 2877469 Specdb::MsMs 2960196 Specdb::MsMs 2960197 Specdb::MsMs 2960198 FDB037423 131772982