1.0 2020-03-06 04:20:29 UTC 2020-04-22 17:13:58 UTC BMDB0076205 BMDB76205 TG(8:0/i-12:0/i-16:0) 1-capryloyl-2-isododecanoyl-3-isohexadecanoyl-glycerol TG(8:0/i-12:0/i-16:0) TG(36:0) Tag(8:0/i-12:0/i-16:0) Tag(36:0) Triacylglycerol(8:0/i-12:0/i-16:0) Triacylglycerol(36:0) Triacylglycerol Triglyceride Tracylglycerol(8:0/i-12:0/i-16:0) Tracylglycerol(36:0) 1-octanoyl-2-isododecanoyl-3-isohexadecanoyl-glycerol C39H74O6 639.015 638.548540103 (2S)-2-[(10-methylundecanoyl)oxy]-3-(octanoyloxy)propyl 14-methylpentadecanoate (2S)-2-[(10-methylundecanoyl)oxy]-3-(octanoyloxy)propyl 14-methylpentadecanoate [H][C@](COC(=O)CCCCCCC)(COC(=O)CCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCC(C)C InChI=1S/C39H74O6/c1-6-7-8-17-24-29-37(40)43-32-36(45-39(42)31-26-21-16-15-19-23-28-35(4)5)33-44-38(41)30-25-20-14-12-10-9-11-13-18-22-27-34(2)3/h34-36H,6-33H2,1-5H3/t36-/m0/s1 ZCVBTXPKMIZDNS-BHVANESWSA-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 9.36 ALOGPS logs -7.75 ALOGPS logp 13.27 ChemAxon pka_strongest_basic -6.6 ChemAxon iupac (2S)-2-[(10-methylundecanoyl)oxy]-3-(octanoyloxy)propyl 14-methylpentadecanoate ChemAxon average_mass 639.015 ChemAxon mono_mass 638.548540103 ChemAxon smiles [H][C@](COC(=O)CCCCCCC)(COC(=O)CCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCC(C)C ChemAxon formula C39H74O6 ChemAxon inchi InChI=1S/C39H74O6/c1-6-7-8-17-24-29-37(40)43-32-36(45-39(42)31-26-21-16-15-19-23-28-35(4)5)33-44-38(41)30-25-20-14-12-10-9-11-13-18-22-27-34(2)3/h34-36H,6-33H2,1-5H3/t36-/m0/s1 ChemAxon inchikey ZCVBTXPKMIZDNS-BHVANESWSA-N ChemAxon polar_surface_area 78.9 ChemAxon refractivity 185.97 ChemAxon polarizability 83.07 ChemAxon rotatable_bond_count 36 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 605131 Specdb::MsMs 605132 Specdb::MsMs 605133 Specdb::MsMs 2531922 Specdb::MsMs 2531923 Specdb::MsMs 2531924 Specdb::MsMs 2641096 Specdb::MsMs 2641097 Specdb::MsMs 2641098 Specdb::MsMs 2744499 Specdb::MsMs 2744500 Specdb::MsMs 2744501 Specdb::MsMs 2765699 Specdb::MsMs 2765700 Specdb::MsMs 2765701 Specdb::MsMs 2943103 Specdb::MsMs 2943104 Specdb::MsMs 2943105 FDB044836 131779629