1.0 2020-03-07 06:58:26 UTC 2020-04-22 17:58:23 UTC BMDB0083233 BMDB83233 TG(a-15:0/a-15:0/20:0)[rac] 1-anteisopentadecanoyl-2-anteisopentadecanoyl-3-eicosanoyl-glycerol 1-anteisopentadecanoyl-2-anteisopentadecanoyl-3-arachidonyl-glycerol TG(a-15:0/a-15:0/20:0) Triacylglycerol Triglyceride TAG(a-15:0/a-15:0/20:0) Tracylglycerol(a-15:0/a-15:0/20:0) TG(50:0) Tracylglycerol(50:0) TAG(50:0) TG(a-15:0/a-15:0/20:0)[rac] C53H102O6 835.393 834.767641004 (2R)-2,3-bis[(12-methyltetradecanoyl)oxy]propyl icosanoate (2R)-2,3-bis[(12-methyltetradecanoyl)oxy]propyl icosanoate [H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCC(C)CC InChI=1S/C53H102O6/c1-6-9-10-11-12-13-14-15-16-17-18-19-20-21-28-33-38-43-51(54)57-46-50(59-53(56)45-40-35-30-25-23-27-32-37-42-49(5)8-3)47-58-52(55)44-39-34-29-24-22-26-31-36-41-48(4)7-2/h48-50H,6-47H2,1-5H3/t48?,49?,50-/m1/s1 SVOQLQYKLFEWEM-SCELNBNSSA-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 10.52 ALOGPS logs -7.90 ALOGPS logp 19.5 ChemAxon pka_strongest_basic -6.6 ChemAxon iupac (2R)-2,3-bis[(12-methyltetradecanoyl)oxy]propyl icosanoate ChemAxon average_mass 835.393 ChemAxon mono_mass 834.767641004 ChemAxon smiles [H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCC(C)CC ChemAxon formula C53H102O6 ChemAxon inchi InChI=1S/C53H102O6/c1-6-9-10-11-12-13-14-15-16-17-18-19-20-21-28-33-38-43-51(54)57-46-50(59-53(56)45-40-35-30-25-23-27-32-37-42-49(5)8-3)47-58-52(55)44-39-34-29-24-22-26-31-36-41-48(4)7-2/h48-50H,6-47H2,1-5H3/t48?,49?,50-/m1/s1 ChemAxon inchikey SVOQLQYKLFEWEM-SCELNBNSSA-N ChemAxon polar_surface_area 78.9 ChemAxon refractivity 250.39 ChemAxon polarizability 112.79 ChemAxon rotatable_bond_count 50 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 686110 Specdb::MsMs 686111 Specdb::MsMs 686112 Specdb::MsMs 2322889 Specdb::MsMs 2322890 Specdb::MsMs 2322891 Specdb::MsMs 2954406 Specdb::MsMs 2954407 Specdb::MsMs 2954408 Specdb::MsMs 2967738 Specdb::MsMs 2967739 Specdb::MsMs 2967740 Specdb::MsMs 3057781 Specdb::MsMs 3057782 Specdb::MsMs 3057783 Specdb::MsMs 3112538 Specdb::MsMs 3112539 Specdb::MsMs 3112540 FDB073670 74865797 131809997