1.0 2020-03-07 02:39:19 UTC 2020-04-22 17:36:38 UTC BMDB0079786 BMDB79786 TG(a-13:0/i-20:0/10:0)[rac] 1-anteisotridecanoyl-2-isoeicosanoyl-3-animal fats-glycerol TG(43:0) Triacylglycerol TAG(a-13:0/i-20:0/10:0) Triglyceride Tracylglycerol(a-13:0/i-20:0/10:0) Tracylglycerol(43:0) TAG(43:0) 1-anteisotridecanoyl-2-isoeicosanoyl-3-decanoic acid-glycerol TG(a-13:0/i-20:0/10:0)[rac] TG(a-13:0/i-20:0/10:0) C46H88O6 737.204 736.658090554 (2R)-1-(decanoyloxy)-3-[(10-methyldodecanoyl)oxy]propan-2-yl 18-methylnonadecanoate (2R)-1-(decanoyloxy)-3-[(10-methyldodecanoyl)oxy]propan-2-yl 18-methylnonadecanoate [H][C@@](COC(=O)CCCCCCCCC)(COC(=O)CCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCCCC(C)C InChI=1S/C46H88O6/c1-6-8-9-10-19-26-31-36-44(47)50-39-43(40-51-45(48)37-32-27-23-22-25-30-35-42(5)7-2)52-46(49)38-33-28-21-18-16-14-12-11-13-15-17-20-24-29-34-41(3)4/h41-43H,6-40H2,1-5H3/t42?,43-/m1/s1 RMERUNPAKCHJRU-XFCPCMSTSA-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 10.06 ALOGPS logs -7.79 ALOGPS logp 16.39 ChemAxon pka_strongest_basic -6.6 ChemAxon iupac (2R)-1-(decanoyloxy)-3-[(10-methyldodecanoyl)oxy]propan-2-yl 18-methylnonadecanoate ChemAxon average_mass 737.204 ChemAxon mono_mass 736.658090554 ChemAxon smiles [H][C@@](COC(=O)CCCCCCCCC)(COC(=O)CCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCCCCCC(C)C ChemAxon formula C46H88O6 ChemAxon inchi InChI=1S/C46H88O6/c1-6-8-9-10-19-26-31-36-44(47)50-39-43(40-51-45(48)37-32-27-23-22-25-30-35-42(5)7-2)52-46(49)38-33-28-21-18-16-14-12-11-13-15-17-20-24-29-34-41(3)4/h41-43H,6-40H2,1-5H3/t42?,43-/m1/s1 ChemAxon inchikey RMERUNPAKCHJRU-XFCPCMSTSA-N ChemAxon polar_surface_area 78.9 ChemAxon refractivity 218.18 ChemAxon polarizability 97.98 ChemAxon rotatable_bond_count 43 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::CMs 236762 Specdb::MsMs 638536 Specdb::MsMs 638537 Specdb::MsMs 638538 Specdb::MsMs 2290449 Specdb::MsMs 2290450 Specdb::MsMs 2290451 Specdb::MsMs 2400054 Specdb::MsMs 2400055 Specdb::MsMs 2400056 Specdb::MsMs 2440270 Specdb::MsMs 2440271 Specdb::MsMs 2440272 Specdb::MsMs 2538743 Specdb::MsMs 2538744 Specdb::MsMs 2538745 Specdb::MsMs 2863359 Specdb::MsMs 2863360 Specdb::MsMs 2863361 FDB070182 74862365 131806566