1.0 2020-03-06 03:54:25 UTC 2020-04-22 17:07:47 UTC BMDB0075271 BMDB75271 TG(10:0/8:0/i-12:0) 1-decanoyl-2-capryloyl-3-isododecanoyl-glycerol TG(10:0/8:0/i-12:0) TG(30:0) Tag(10:0/8:0/i-12:0) Tag(30:0) Triacylglycerol(10:0/8:0/i-12:0) Triacylglycerol(30:0) Triacylglycerol Triglyceride 1-animal fats-2-capryloyl-3-isododecanoyl-glycerol 1-decanoic acid-2-octanoyl-3-isododecanoyl-glycerol Tracylglycerol(30:0) Tracylglycerol(10:0/8:0/i-12:0) C33H62O6 554.853 554.454639716 (2S)-3-(decanoyloxy)-2-(octanoyloxy)propyl 10-methylundecanoate (2S)-3-(decanoyloxy)-2-(octanoyloxy)propyl 10-methylundecanoate [H][C@](COC(=O)CCCCCCCCC)(COC(=O)CCCCCCCCC(C)C)OC(=O)CCCCCCC InChI=1S/C33H62O6/c1-5-7-9-11-12-17-20-24-31(34)37-27-30(39-33(36)26-22-15-10-8-6-2)28-38-32(35)25-21-18-14-13-16-19-23-29(3)4/h29-30H,5-28H2,1-4H3/t30-/m0/s1 OSUSXNCWZCDFJT-PMERELPUSA-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 8.54 ALOGPS logs -7.52 ALOGPS logp 10.76 ChemAxon pka_strongest_basic -6.6 ChemAxon iupac (2S)-3-(decanoyloxy)-2-(octanoyloxy)propyl 10-methylundecanoate ChemAxon average_mass 554.853 ChemAxon mono_mass 554.454639716 ChemAxon smiles [H][C@](COC(=O)CCCCCCCCC)(COC(=O)CCCCCCCCC(C)C)OC(=O)CCCCCCC ChemAxon formula C33H62O6 ChemAxon inchi InChI=1S/C33H62O6/c1-5-7-9-11-12-17-20-24-31(34)37-27-30(39-33(36)26-22-15-10-8-6-2)28-38-32(35)25-21-18-14-13-16-19-23-29(3)4/h29-30H,5-28H2,1-4H3/t30-/m0/s1 ChemAxon inchikey OSUSXNCWZCDFJT-PMERELPUSA-N ChemAxon polar_surface_area 78.9 ChemAxon refractivity 158.42 ChemAxon polarizability 70.49 ChemAxon rotatable_bond_count 31 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 595810 Specdb::MsMs 595811 Specdb::MsMs 595812 Specdb::MsMs 2475569 Specdb::MsMs 2475570 Specdb::MsMs 2475571 Specdb::MsMs 2532024 Specdb::MsMs 2532025 Specdb::MsMs 2532026 Specdb::MsMs 2744595 Specdb::MsMs 2744596 Specdb::MsMs 2744597 Specdb::MsMs 2802751 Specdb::MsMs 2802752 Specdb::MsMs 2802753 Specdb::MsMs 2879093 Specdb::MsMs 2879094 Specdb::MsMs 2879095 FDB043898 131778699