1.0 2020-03-04 19:26:48 UTC 2020-04-22 16:20:27 UTC BMDB0067798 BMDB67798 TG(20:0/10:0/10:0) 1-arachidoyl-2-decanoyl-3-decanoyl-glycerol TG(40:0) Tag(20:0/10:0/10:0) Tag(40:0) Triacylglycerol(20:0/10:0/10:0) Triacylglycerol(40:0) Triacylglycerol Triglyceride TG(20:0/10:0/10:0) 1-eicosanoyl-2-animal fats-3-animal fats-glycerol Triacylglycerol 1-arachidonyl-2-decanoic acid-3-decanoic acid-glycerol TG(40:0) TAG(40:0) Tracylglycerol(40:0) TAG(20:0/10:0/10:0) Tracylglycerol(20:0/10:0/10:0) C43H82O6 695.123 694.61114036 (2R)-2,3-bis(decanoyloxy)propyl icosanoate (2R)-2,3-bis(decanoyloxy)propyl icosanoate [H][C@@](COC(=O)CCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCC InChI=1S/C43H82O6/c1-4-7-10-13-16-17-18-19-20-21-22-23-24-25-28-30-33-36-42(45)48-39-40(49-43(46)37-34-31-27-15-12-9-6-3)38-47-41(44)35-32-29-26-14-11-8-5-2/h40H,4-39H2,1-3H3/t40-/m1/s1 SAWQYMGKRRWFRC-RRHRGVEJSA-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 10.22 ALOGPS logs -7.73 ALOGPS logp 15.37 ChemAxon pka_strongest_basic -6.6 ChemAxon iupac (2R)-2,3-bis(decanoyloxy)propyl icosanoate ChemAxon average_mass 695.123 ChemAxon mono_mass 694.61114036 ChemAxon smiles [H][C@@](COC(=O)CCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCC ChemAxon formula C43H82O6 ChemAxon inchi InChI=1S/C43H82O6/c1-4-7-10-13-16-17-18-19-20-21-22-23-24-25-28-30-33-36-42(45)48-39-40(49-43(46)37-34-31-27-15-12-9-6-3)38-47-41(44)35-32-29-26-14-11-8-5-2/h40H,4-39H2,1-3H3/t40-/m1/s1 ChemAxon inchikey SAWQYMGKRRWFRC-RRHRGVEJSA-N ChemAxon polar_surface_area 78.9 ChemAxon refractivity 204.48 ChemAxon polarizability 92.16 ChemAxon rotatable_bond_count 42 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 599563 Specdb::MsMs 599564 Specdb::MsMs 599565 Specdb::MsMs 2308143 Specdb::MsMs 2308144 Specdb::MsMs 2308145 Specdb::MsMs 2587705 Specdb::MsMs 2587706 Specdb::MsMs 2587707 Specdb::MsMs 2686263 Specdb::MsMs 2686264 Specdb::MsMs 2686265 Specdb::MsMs 2709212 Specdb::MsMs 2709213 Specdb::MsMs 2709214 Specdb::MsMs 3000346 Specdb::MsMs 3000347 Specdb::MsMs 3000348 FDB036449 131772044