1.0 2020-03-06 04:01:32 UTC 2020-04-22 17:09:52 UTC BMDB0075589 BMDB75589 TG(10:0/8:0/i-16:0) 1-decanoyl-2-capryloyl-3-isohexadecanoyl-glycerol TG(10:0/8:0/i-16:0) TG(34:0) Tag(10:0/8:0/i-16:0) Tag(34:0) Triacylglycerol(10:0/8:0/i-16:0) Triacylglycerol(34:0) Triacylglycerol Triglyceride 1-animal fats-2-capryloyl-3-isohexadecanoyl-glycerol Tracylglycerol(10:0/8:0/i-16:0) 1-decanoic acid-2-octanoyl-3-isohexadecanoyl-glycerol Tracylglycerol(34:0) C37H70O6 610.961 610.517239974 (2S)-3-(decanoyloxy)-2-(octanoyloxy)propyl 14-methylpentadecanoate (2S)-3-(decanoyloxy)-2-(octanoyloxy)propyl 14-methylpentadecanoate [H][C@](COC(=O)CCCCCCCCC)(COC(=O)CCCCCCCCCCCCC(C)C)OC(=O)CCCCCCC InChI=1S/C37H70O6/c1-5-7-9-11-16-21-24-28-35(38)41-31-34(43-37(40)30-26-19-10-8-6-2)32-42-36(39)29-25-22-18-15-13-12-14-17-20-23-27-33(3)4/h33-34H,5-32H2,1-4H3/t34-/m0/s1 CBHLBJSQWDTCEW-UMSFTDKQSA-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 9.31 ALOGPS logs -7.67 ALOGPS logp 12.54 ChemAxon pka_strongest_basic -6.6 ChemAxon iupac (2S)-3-(decanoyloxy)-2-(octanoyloxy)propyl 14-methylpentadecanoate ChemAxon average_mass 610.961 ChemAxon mono_mass 610.517239974 ChemAxon smiles [H][C@](COC(=O)CCCCCCCCC)(COC(=O)CCCCCCCCCCCCC(C)C)OC(=O)CCCCCCC ChemAxon formula C37H70O6 ChemAxon inchi InChI=1S/C37H70O6/c1-5-7-9-11-16-21-24-28-35(38)41-31-34(43-37(40)30-26-19-10-8-6-2)32-42-36(39)29-25-22-18-15-13-12-14-17-20-23-27-33(3)4/h33-34H,5-32H2,1-4H3/t34-/m0/s1 ChemAxon inchikey CBHLBJSQWDTCEW-UMSFTDKQSA-N ChemAxon polar_surface_area 78.9 ChemAxon refractivity 176.82 ChemAxon polarizability 79.23 ChemAxon rotatable_bond_count 35 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 599647 Specdb::MsMs 599648 Specdb::MsMs 599649 Specdb::MsMs 2295006 Specdb::MsMs 2295007 Specdb::MsMs 2295008 Specdb::MsMs 2401166 Specdb::MsMs 2401167 Specdb::MsMs 2401168 Specdb::MsMs 2433946 Specdb::MsMs 2433947 Specdb::MsMs 2433948 Specdb::MsMs 2538041 Specdb::MsMs 2538042 Specdb::MsMs 2538043 Specdb::MsMs 3045037 Specdb::MsMs 3045038 Specdb::MsMs 3045039 FDB044218 131779015