1.0 2020-03-07 15:34:40 UTC 2020-04-22 18:47:37 UTC BMDB0091026 BMDB91026 TG(19:0/10:0/a-21:0)[rac] 1-nonadecanoyl-2-animal fats-3-anteisoheneicosanoyl-glycerol TG(19:0/10:0/a-21:0)[rac] Triacylglycerol TG(19:0/10:0/a-21:0) Tracylglycerol(19:0/10:0/a-21:0) Triglyceride TAG(19:0/10:0/a-21:0) TG(50:0) Tracylglycerol(50:0) TAG(50:0) 1-nonadecanoyl-2-decanoic acid-3-anteisoheneicosanoyl-glycerol (2S)-2-(Decanoyloxy)-3-(nonadecanoyloxy)propyl 18-methylicosanoic acid C53H102O6 835.393 834.767641004 (2S)-2-(decanoyloxy)-3-(nonadecanoyloxy)propyl 18-methylicosanoate (2S)-2-(decanoyloxy)-3-(nonadecanoyloxy)propyl 18-methylicosanoate [H][C@](COC(=O)CCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCC InChI=1S/C53H102O6/c1-5-8-10-12-14-15-16-17-18-19-23-26-29-33-36-40-44-51(54)57-47-50(59-53(56)46-42-38-31-13-11-9-6-2)48-58-52(55)45-41-37-34-30-27-24-21-20-22-25-28-32-35-39-43-49(4)7-3/h49-50H,5-48H2,1-4H3/t49?,50-/m0/s1 UXKOCCYOUILHJU-GOOVXGPGSA-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 10.59 ALOGPS logs -7.88 ALOGPS logp 19.66 ChemAxon pka_strongest_basic -6.6 ChemAxon iupac (2S)-2-(decanoyloxy)-3-(nonadecanoyloxy)propyl 18-methylicosanoate ChemAxon average_mass 835.393 ChemAxon mono_mass 834.767641004 ChemAxon smiles [H][C@](COC(=O)CCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCC ChemAxon formula C53H102O6 ChemAxon inchi InChI=1S/C53H102O6/c1-5-8-10-12-14-15-16-17-18-19-23-26-29-33-36-40-44-51(54)57-47-50(59-53(56)46-42-38-31-13-11-9-6-2)48-58-52(55)45-41-37-34-30-27-24-21-20-22-25-28-32-35-39-43-49(4)7-3/h49-50H,5-48H2,1-4H3/t49?,50-/m0/s1 ChemAxon inchikey UXKOCCYOUILHJU-GOOVXGPGSA-N ChemAxon polar_surface_area 78.9 ChemAxon refractivity 250.44 ChemAxon polarizability 113.35 ChemAxon rotatable_bond_count 51 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 570331 Specdb::MsMs 570332 Specdb::MsMs 570333 Specdb::MsMs 2628308 Specdb::MsMs 2628309 Specdb::MsMs 2628310 Specdb::MsMs 2709107 Specdb::MsMs 2709108 Specdb::MsMs 2709109 Specdb::MsMs 2726696 Specdb::MsMs 2726697 Specdb::MsMs 2726698 Specdb::MsMs 2965644 Specdb::MsMs 2965645 Specdb::MsMs 2965646 Specdb::MsMs 3000466 Specdb::MsMs 3000467 Specdb::MsMs 3000468 FDB081465 74873526 131817714