1.0 2020-03-06 04:36:58 UTC 2020-04-22 17:15:33 UTC BMDB0076454 BMDB76454 TG(12:0/i-13:0/10:0) 1-Dodecanoyl-2-isotridecanoyl-3-animal fats-glycerol TG(35:0) Triacylglycerol Tracylglycerol(35:0) 1-Dodecanoyl-2-isotridecanoyl-3-decanoic acid-glycerol Triglyceride Tracylglycerol(12:0/i-13:0/10:0) TAG(35:0) TAG(12:0/i-13:0/10:0) (2R)-1-(Decanoyloxy)-3-(dodecanoyloxy)propan-2-yl 11-methyldodecanoic acid TG(12:0/i-13:0/10:0) C38H72O6 624.988 624.532890038 (2R)-1-(decanoyloxy)-3-(dodecanoyloxy)propan-2-yl 11-methyldodecanoate (2R)-1-(decanoyloxy)-3-(dodecanoyloxy)propan-2-yl 11-methyldodecanoate [H][C@@](COC(=O)CCCCCCCCC)(COC(=O)CCCCCCCCCCC)OC(=O)CCCCCCCCCC(C)C InChI=1S/C38H72O6/c1-5-7-9-11-13-14-18-22-26-30-37(40)43-33-35(32-42-36(39)29-25-21-16-12-10-8-6-2)44-38(41)31-27-23-19-15-17-20-24-28-34(3)4/h34-35H,5-33H2,1-4H3/t35-/m1/s1 NVPDRDSHWFTDET-PGUFJCEWSA-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 9.37 ALOGPS logs -7.68 ALOGPS logp 12.99 ChemAxon pka_strongest_basic -6.6 ChemAxon iupac (2R)-1-(decanoyloxy)-3-(dodecanoyloxy)propan-2-yl 11-methyldodecanoate ChemAxon average_mass 624.988 ChemAxon mono_mass 624.532890038 ChemAxon smiles [H][C@@](COC(=O)CCCCCCCCC)(COC(=O)CCCCCCCCCCC)OC(=O)CCCCCCCCCC(C)C ChemAxon formula C38H72O6 ChemAxon inchi InChI=1S/C38H72O6/c1-5-7-9-11-13-14-18-22-26-30-37(40)43-33-35(32-42-36(39)29-25-21-16-12-10-8-6-2)44-38(41)31-27-23-19-15-17-20-24-28-34(3)4/h34-35H,5-33H2,1-4H3/t35-/m1/s1 ChemAxon inchikey NVPDRDSHWFTDET-PGUFJCEWSA-N ChemAxon polar_surface_area 78.9 ChemAxon refractivity 181.42 ChemAxon polarizability 81.06 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 669616 Specdb::MsMs 669617 Specdb::MsMs 669618 Specdb::MsMs 2367847 Specdb::MsMs 2367848 Specdb::MsMs 2367849 Specdb::MsMs 2389507 Specdb::MsMs 2389508 Specdb::MsMs 2389509 Specdb::MsMs 2502329 Specdb::MsMs 2502330 Specdb::MsMs 2502331 Specdb::MsMs 2573609 Specdb::MsMs 2573610 Specdb::MsMs 2573611 Specdb::MsMs 2824786 Specdb::MsMs 2824787 Specdb::MsMs 2824788 74859045 131803236 FDB066846