1.0 2020-03-26 01:34:49 UTC 2020-04-22 19:29:21 UTC BMDB0101380 TG(24:0/16:1(9Z)/24:0) Tracylglycerol(64:1) TAG(64:1) Triacylglycerol 1-Lignoceroyl-2-palmitoleoyl-3-lignoceroyl-glycerol TAG(24:0/16:1/24:0) Triglyceride Tracylglycerol(24:0/16:1/24:0) TG(64:1) 1-Tetracosanoyl-2-(9Z-hexadecenoyl)-3-tetracosanoyl-glycerol TG(24:0/16:1/24:0) TG(24:0/16:1(9Z)/24:0) C67H128O6 1029.7296 1028.971091828 2-[(9Z)-hexadec-9-enoyloxy]-3-(tetracosanoyloxy)propyl tetracosanoate 2-[(9Z)-hexadec-9-enoyloxy]-3-(tetracosanoyloxy)propyl tetracosanoate [H]C(COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCC InChI=1S/C67H128O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-35-37-39-42-44-47-50-53-56-59-65(68)71-62-64(73-67(70)61-58-55-52-49-46-41-24-21-18-15-12-9-6-3)63-72-66(69)60-57-54-51-48-45-43-40-38-36-34-32-30-28-26-23-20-17-14-11-8-5-2/h21,24,64H,4-20,22-23,25-63H2,1-3H3/b24-21- MPJXAVRCDYLFJT-FLFQWRMESA-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 10.66 ALOGPS logs -7.96 ALOGPS logp 25.68 ChemAxon pka_strongest_basic -6.6 ChemAxon iupac 2-[(9Z)-hexadec-9-enoyloxy]-3-(tetracosanoyloxy)propyl tetracosanoate ChemAxon average_mass 1029.7296 ChemAxon mono_mass 1028.971091828 ChemAxon smiles [H]C(COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCC ChemAxon formula C67H128O6 ChemAxon inchi InChI=1S/C67H128O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-35-37-39-42-44-47-50-53-56-59-65(68)71-62-64(73-67(70)61-58-55-52-49-46-41-24-21-18-15-12-9-6-3)63-72-66(69)60-57-54-51-48-45-43-40-38-36-34-32-30-28-26-23-20-17-14-11-8-5-2/h21,24,64H,4-20,22-23,25-63H2,1-3H3/b24-21- ChemAxon inchikey MPJXAVRCDYLFJT-FLFQWRMESA-N ChemAxon polar_surface_area 78.9 ChemAxon refractivity 316.02 ChemAxon polarizability 142.19 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 211157 Specdb::MsMs 636085 Specdb::MsMs 636086 Specdb::MsMs 636087 Specdb::MsMs 2623727 Specdb::MsMs 2623728 Specdb::MsMs 2623729 Specdb::MsMs 2730526 Specdb::MsMs 2730527 Specdb::MsMs 2730528 Specdb::MsMs 2736230 Specdb::MsMs 2736231 Specdb::MsMs 2736232 Specdb::MsMs 2968794 Specdb::MsMs 2968795 Specdb::MsMs 2968796 Specdb::MsMs 3048719 Specdb::MsMs 3048720 Specdb::MsMs 3048721 131758040