1.0 2020-03-06 04:55:13 UTC 2020-04-22 17:17:20 UTC BMDB0076734 BMDB76734 TG(i-12:0/a-15:0/8:0)[rac] 1-Isododecanoyl-2-anteisopentadecanoyl-3-capryloyl-glycerol 1-Isododecanoyl-2-anteisopentadecanoyl-3-octanoyl-glycerol TG(35:0) Triacylglycerol Tracylglycerol(35:0) Triglyceride TG(I-12:0/a-15:0/8:0) TAG(i-12:0/a-15:0/8:0) Tracylglycerol(i-12:0/a-15:0/8:0) TAG(35:0) (2R)-1-[(10-Methylundecanoyl)oxy]-3-(octanoyloxy)propan-2-yl 12-methyltetradecanoic acid TG(i-12:0/a-15:0/8:0)[rac] C38H72O6 624.988 624.532890038 (2R)-1-[(10-methylundecanoyl)oxy]-3-(octanoyloxy)propan-2-yl 12-methyltetradecanoate (2R)-1-[(10-methylundecanoyl)oxy]-3-(octanoyloxy)propan-2-yl 12-methyltetradecanoate [H][C@@](COC(=O)CCCCCCC)(COC(=O)CCCCCCCCC(C)C)OC(=O)CCCCCCCCCCC(C)CC InChI=1S/C38H72O6/c1-6-8-9-16-23-28-36(39)42-31-35(32-43-37(40)29-24-19-15-14-17-21-26-33(3)4)44-38(41)30-25-20-13-11-10-12-18-22-27-34(5)7-2/h33-35H,6-32H2,1-5H3/t34?,35-/m1/s1 UBNZRLXPXWGGJJ-ICBMVRCQSA-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 9.33 ALOGPS logs -7.74 ALOGPS logp 12.83 ChemAxon pka_strongest_basic -6.6 ChemAxon iupac (2R)-1-[(10-methylundecanoyl)oxy]-3-(octanoyloxy)propan-2-yl 12-methyltetradecanoate ChemAxon average_mass 624.988 ChemAxon mono_mass 624.532890038 ChemAxon smiles [H][C@@](COC(=O)CCCCCCC)(COC(=O)CCCCCCCCC(C)C)OC(=O)CCCCCCCCCCC(C)CC ChemAxon formula C38H72O6 ChemAxon inchi InChI=1S/C38H72O6/c1-6-8-9-16-23-28-36(39)42-31-35(32-43-37(40)29-24-19-15-14-17-21-26-33(3)4)44-38(41)30-25-20-13-11-10-12-18-22-27-34(5)7-2/h33-35H,6-32H2,1-5H3/t34?,35-/m1/s1 ChemAxon inchikey UBNZRLXPXWGGJJ-ICBMVRCQSA-N ChemAxon polar_surface_area 78.9 ChemAxon refractivity 181.37 ChemAxon polarizability 80.86 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 612883 Specdb::MsMs 612884 Specdb::MsMs 612885 Specdb::MsMs 2315393 Specdb::MsMs 2315394 Specdb::MsMs 2315395 Specdb::MsMs 2831995 Specdb::MsMs 2831996 Specdb::MsMs 2831997 Specdb::MsMs 2849965 Specdb::MsMs 2849966 Specdb::MsMs 2849967 Specdb::MsMs 2958174 Specdb::MsMs 2958175 Specdb::MsMs 2958176 Specdb::MsMs 3085819 Specdb::MsMs 3085820 Specdb::MsMs 3085821 74859327 131803518 FDB067129