1.0 2020-03-06 06:23:31 UTC 2020-04-22 17:25:59 UTC BMDB0078100 BMDB78100 TG(13:0/10:0/19:0) 1-animal fats-2-animal fats-3-nonadecanoyl-glycerol Tracylglycerol(42:0) Triacylglycerol 1-tridecyloyl-2-decanoic acid-3-nonadecanoyl-glycerol Triglyceride TAG(42:0) Tracylglycerol(13:0/10:0/19:0) TAG(13:0/10:0/19:0) TG(13:0/10:0/19:0) TG(42:0) (2S)-2-(Decanoyloxy)-3-(tridecanoyloxy)propyl nonadecanoic acid C45H86O6 723.177 722.642440489 (2S)-2-(decanoyloxy)-3-(tridecanoyloxy)propyl nonadecanoate (2S)-2-(decanoyloxy)-3-(tridecanoyloxy)propyl nonadecanoate [H][C@](COC(=O)CCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCC InChI=1S/C45H86O6/c1-4-7-10-13-16-18-20-21-22-23-24-25-27-30-32-35-38-44(47)50-41-42(51-45(48)39-36-33-28-15-12-9-6-3)40-49-43(46)37-34-31-29-26-19-17-14-11-8-5-2/h42H,4-41H2,1-3H3/t42-/m0/s1 DKRZJERTAJBDGT-WBCKFURZSA-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 10.34 ALOGPS logs -7.74 ALOGPS logp 16.26 ChemAxon pka_strongest_basic -6.6 ChemAxon iupac (2S)-2-(decanoyloxy)-3-(tridecanoyloxy)propyl nonadecanoate ChemAxon average_mass 723.177 ChemAxon mono_mass 722.642440489 ChemAxon smiles [H][C@](COC(=O)CCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCC ChemAxon formula C45H86O6 ChemAxon inchi InChI=1S/C45H86O6/c1-4-7-10-13-16-18-20-21-22-23-24-25-27-30-32-35-38-44(47)50-41-42(51-45(48)39-36-33-28-15-12-9-6-3)40-49-43(46)37-34-31-29-26-19-17-14-11-8-5-2/h42H,4-41H2,1-3H3/t42-/m0/s1 ChemAxon inchikey DKRZJERTAJBDGT-WBCKFURZSA-N ChemAxon polar_surface_area 78.9 ChemAxon refractivity 213.68 ChemAxon polarizability 96.52 ChemAxon rotatable_bond_count 44 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 630202 Specdb::MsMs 630203 Specdb::MsMs 630204 Specdb::MsMs 2471277 Specdb::MsMs 2471278 Specdb::MsMs 2471279 Specdb::MsMs 2732685 Specdb::MsMs 2732686 Specdb::MsMs 2732687 Specdb::MsMs 2761276 Specdb::MsMs 2761277 Specdb::MsMs 2761278 Specdb::MsMs 2899215 Specdb::MsMs 2899216 Specdb::MsMs 2899217 Specdb::MsMs 2976758 Specdb::MsMs 2976759 Specdb::MsMs 2976760 FDB068496 74860693 131804882