1.0 2020-03-26 03:53:05 UTC 2020-04-22 19:37:25 UTC BMDB0102650 TG(16:1(9Z)/24:0/20:1(11Z)) 1-(9Z-Hexadecenoyl)-2-tetracosanoyl-3-(11-eicosenoyl)-glycerol 1-Palmitoleoyl-2-lignoceroyl-3-eicosenoyl-glycerol TAG(16:1/24:0/20:1) TAG(60:2) TG(16:1/24:0/20:1) TG(60:2) Tracylglycerol(16:1/24:0/20:1) Tracylglycerol(60:2) Triacylglycerol Triglyceride TG(16:1(9Z)/24:0/20:1(11Z)) C63H118O6 971.631 970.89284152 (2R)-1-[(9Z)-hexadec-9-enoyloxy]-3-[(11Z)-icos-11-enoyloxy]propan-2-yl tetracosanoate (2R)-1-[(9Z)-hexadec-9-enoyloxy]-3-[(11Z)-icos-11-enoyloxy]propan-2-yl tetracosanoate [H][C@@](COC(=O)CCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC InChI=1S/C63H118O6/c1-4-7-10-13-16-19-22-25-27-29-30-31-32-34-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-33-28-26-23-20-17-14-11-8-5-2/h21,24,26,28,60H,4-20,22-23,25,27,29-59H2,1-3H3/b24-21-,28-26-/t60-/m0/s1 FNHNIQYRALAOKL-GCGFRPBCSA-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 10.75 ALOGPS logs -8.06 ALOGPS logp 23.54 ChemAxon pka_strongest_basic -6.6 ChemAxon iupac (2R)-1-[(9Z)-hexadec-9-enoyloxy]-3-[(11Z)-icos-11-enoyloxy]propan-2-yl tetracosanoate ChemAxon average_mass 971.631 ChemAxon mono_mass 970.89284152 ChemAxon smiles [H][C@@](COC(=O)CCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC ChemAxon formula C63H118O6 ChemAxon inchi InChI=1S/C63H118O6/c1-4-7-10-13-16-19-22-25-27-29-30-31-32-34-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-33-28-26-23-20-17-14-11-8-5-2/h21,24,26,28,60H,4-20,22-23,25,27,29-59H2,1-3H3/b24-21-,28-26-/t60-/m0/s1 ChemAxon inchikey FNHNIQYRALAOKL-GCGFRPBCSA-N ChemAxon polar_surface_area 78.9 ChemAxon refractivity 298.74 ChemAxon polarizability 131.91 ChemAxon rotatable_bond_count 60 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 668056 Specdb::MsMs 668057 Specdb::MsMs 668058 Specdb::MsMs 963790 Specdb::MsMs 963791 Specdb::MsMs 963792 Specdb::MsMs 2308197 Specdb::MsMs 2308198 Specdb::MsMs 2308199 Specdb::MsMs 2567429 Specdb::MsMs 2567430 Specdb::MsMs 2567431 Specdb::MsMs 2600876 Specdb::MsMs 2600877 Specdb::MsMs 2600878 Specdb::MsMs 2653634 Specdb::MsMs 2653635 Specdb::MsMs 2653636 Specdb::MsMs 2773196 Specdb::MsMs 2773197 Specdb::MsMs 2773198 131759375