1.0 2020-03-04 22:14:57 UTC 2020-04-22 16:42:22 UTC BMDB0071253 BMDB71253 TG(i-22:0/20:0/22:0) 1-isodocosanoyl-2-arachidoyl-3-behenoyl-glycerol TG(i-22:0/20:0/22:0) TG(64:0) Tag(i-22:0/20:0/22:0) Tag(64:0) Triacylglycerol(i-22:0/20:0/22:0) Triacylglycerol(64:0) Triacylglycerol Triglyceride 1-isodocosanoyl-2-eicosanoyl-3-docosanoyl-glycerol Tracylglycerol(64:0) Tracylglycerol(i-22:0/20:0/22:0) 1-isodocosanoyl-2-arachidonyl-3-behenoyl-glycerol C67H130O6 1031.771 1030.986741906 (2R)-2-(icosanoyloxy)-3-[(20-methylhenicosanoyl)oxy]propyl docosanoate (2R)-2-(icosanoyloxy)-3-[(20-methylhenicosanoyl)oxy]propyl docosanoate [H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCC InChI=1S/C67H130O6/c1-5-7-9-11-13-15-17-19-21-23-24-26-30-34-38-42-46-50-54-58-65(68)71-61-64(73-67(70)60-56-52-48-44-40-36-32-25-22-20-18-16-14-12-10-8-6-2)62-72-66(69)59-55-51-47-43-39-35-31-28-27-29-33-37-41-45-49-53-57-63(3)4/h63-64H,5-62H2,1-4H3/t64-/m1/s1 KAHSTMDZHDJPJD-YBWOAVOSSA-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 -7.95 ALOGPS logp 25.88 ChemAxon pka_strongest_basic -6.6 ChemAxon iupac (2R)-2-(icosanoyloxy)-3-[(20-methylhenicosanoyl)oxy]propyl docosanoate ChemAxon average_mass 1031.771 ChemAxon mono_mass 1030.986741906 ChemAxon smiles [H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCC ChemAxon formula C67H130O6 ChemAxon inchi InChI=1S/C67H130O6/c1-5-7-9-11-13-15-17-19-21-23-24-26-30-34-38-42-46-50-54-58-65(68)71-61-64(73-67(70)60-56-52-48-44-40-36-32-25-22-20-18-16-14-12-10-8-6-2)62-72-66(69)59-55-51-47-43-39-35-31-28-27-29-33-37-41-45-49-53-57-63(3)4/h63-64H,5-62H2,1-4H3/t64-/m1/s1 ChemAxon inchikey KAHSTMDZHDJPJD-YBWOAVOSSA-N ChemAxon polar_surface_area 78.9 ChemAxon refractivity 314.85 ChemAxon polarizability 143.33 ChemAxon rotatable_bond_count 65 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::CMs 225351 Specdb::MsMs 646318 Specdb::MsMs 646319 Specdb::MsMs 646320 Specdb::MsMs 955312 Specdb::MsMs 955313 Specdb::MsMs 955314 Specdb::MsMs 2309199 Specdb::MsMs 2309200 Specdb::MsMs 2309201 Specdb::MsMs 2321473 Specdb::MsMs 2321474 Specdb::MsMs 2321475 Specdb::MsMs 2344097 Specdb::MsMs 2344098 Specdb::MsMs 2344099 Specdb::MsMs 2590720 Specdb::MsMs 2590721 Specdb::MsMs 2590722 Specdb::MsMs 2964756 Specdb::MsMs 2964757 Specdb::MsMs 2964758 131775283 FDB039887