1.0 2020-03-07 02:39:15 UTC 2020-04-22 17:36:37 UTC BMDB0079783 BMDB79783 TG(13:0/20:0/8:0) 1-animal fats-2-eicosanoyl-3-capryloyl-glycerol Tracylglycerol(13:0/20:0/8:0) TG(13:0/20:0/8:0) Triacylglycerol TAG(13:0/20:0/8:0) TAG(41:0) 1-tridecyloyl-2-arachidonyl-3-octanoyl-glycerol Tracylglycerol(41:0) Triglyceride TG(41:0) C44H84O6 709.15 708.626790425 (2R)-1-(octanoyloxy)-3-(tridecanoyloxy)propan-2-yl icosanoate (2R)-1-(octanoyloxy)-3-(tridecanoyloxy)propan-2-yl icosanoate [H][C@@](COC(=O)CCCCCCC)(COC(=O)CCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCC InChI=1S/C44H84O6/c1-4-7-10-13-15-17-19-20-21-22-23-24-25-27-29-32-35-38-44(47)50-41(39-48-42(45)36-33-30-12-9-6-3)40-49-43(46)37-34-31-28-26-18-16-14-11-8-5-2/h41H,4-40H2,1-3H3/t41-/m1/s1 RPTWLFCSZORNGE-VQJSHJPSSA-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 10.29 ALOGPS logs -7.73 ALOGPS logp 15.81 ChemAxon pka_strongest_basic -6.6 ChemAxon iupac (2R)-1-(octanoyloxy)-3-(tridecanoyloxy)propan-2-yl icosanoate ChemAxon average_mass 709.15 ChemAxon mono_mass 708.626790425 ChemAxon smiles [H][C@@](COC(=O)CCCCCCC)(COC(=O)CCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCC ChemAxon formula C44H84O6 ChemAxon inchi InChI=1S/C44H84O6/c1-4-7-10-13-15-17-19-20-21-22-23-24-25-27-29-32-35-38-44(47)50-41(39-48-42(45)36-33-30-12-9-6-3)40-49-43(46)37-34-31-28-26-18-16-14-11-8-5-2/h41H,4-40H2,1-3H3/t41-/m1/s1 ChemAxon inchikey RPTWLFCSZORNGE-VQJSHJPSSA-N ChemAxon polar_surface_area 78.9 ChemAxon refractivity 209.08 ChemAxon polarizability 94.62 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::MsMs 605875 Specdb::MsMs 605876 Specdb::MsMs 605877 Specdb::MsMs 2269030 Specdb::MsMs 2269031 Specdb::MsMs 2269032 Specdb::MsMs 2355138 Specdb::MsMs 2355139 Specdb::MsMs 2355140 Specdb::MsMs 2607960 Specdb::MsMs 2607961 Specdb::MsMs 2607962 Specdb::MsMs 2994875 Specdb::MsMs 2994876 Specdb::MsMs 2994877 Specdb::MsMs 3021282 Specdb::MsMs 3021283 Specdb::MsMs 3021284 FDB070179 74862362 131806563