1.0 2020-03-07 02:35:31 UTC 2020-04-22 17:35:35 UTC BMDB0079618 BMDB79618 TG(a-13:0/19:0/i-12:0)[rac] 1-anteisotridecanoyl-2-nonadecanoyl-3-isododecanoyl-glycerol TG(a-13:0/19:0/i-12:0) Tracylglycerol(44:0) Triacylglycerol Triglyceride TG(44:0) Tracylglycerol(a-13:0/19:0/i-12:0) TAG(a-13:0/19:0/i-12:0) TAG(44:0) TG(a-13:0/19:0/i-12:0)[rac] C47H90O6 751.231 750.673740618 (2R)-1-[(10-methyldodecanoyl)oxy]-3-[(10-methylundecanoyl)oxy]propan-2-yl nonadecanoate (2R)-1-[(10-methyldodecanoyl)oxy]-3-[(10-methylundecanoyl)oxy]propan-2-yl nonadecanoate [H][C@@](COC(=O)CCCCCCCCC(C)C)(COC(=O)CCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCCCCC InChI=1S/C47H90O6/c1-6-8-9-10-11-12-13-14-15-16-17-18-19-20-29-34-39-47(50)53-44(40-51-45(48)37-32-27-23-21-25-30-35-42(3)4)41-52-46(49)38-33-28-24-22-26-31-36-43(5)7-2/h42-44H,6-41H2,1-5H3/t43?,44-/m1/s1 IEZNYCPLTPVIIM-JXDVSCHGSA-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 10.12 ALOGPS logs -7.79 ALOGPS logp 16.83 ChemAxon pka_strongest_basic -6.6 ChemAxon iupac (2R)-1-[(10-methyldodecanoyl)oxy]-3-[(10-methylundecanoyl)oxy]propan-2-yl nonadecanoate ChemAxon average_mass 751.231 ChemAxon mono_mass 750.673740618 ChemAxon smiles [H][C@@](COC(=O)CCCCCCCCC(C)C)(COC(=O)CCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCCCCC ChemAxon formula C47H90O6 ChemAxon inchi InChI=1S/C47H90O6/c1-6-8-9-10-11-12-13-14-15-16-17-18-19-20-29-34-39-47(50)53-44(40-51-45(48)37-32-27-23-21-25-30-35-42(3)4)41-52-46(49)38-33-28-24-22-26-31-36-43(5)7-2/h42-44H,6-41H2,1-5H3/t43?,44-/m1/s1 ChemAxon inchikey IEZNYCPLTPVIIM-JXDVSCHGSA-N ChemAxon polar_surface_area 78.9 ChemAxon refractivity 222.78 ChemAxon polarizability 100.06 ChemAxon rotatable_bond_count 44 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 655903 Specdb::MsMs 655904 Specdb::MsMs 655905 Specdb::MsMs 2321962 Specdb::MsMs 2321963 Specdb::MsMs 2321964 Specdb::MsMs 2414701 Specdb::MsMs 2414702 Specdb::MsMs 2414703 Specdb::MsMs 2551778 Specdb::MsMs 2551779 Specdb::MsMs 2551780 Specdb::MsMs 2613712 Specdb::MsMs 2613713 Specdb::MsMs 2613714 Specdb::MsMs 2714140 Specdb::MsMs 2714141 Specdb::MsMs 2714142 FDB070014 74862197 131806398