1.0 2020-03-26 01:31:02 UTC 2020-04-22 19:29:04 UTC BMDB0101334 TG(24:0/24:0/16:1(9Z)) 1-Lignoceroyl-2-lignoceroyl-3-palmitoleoyl-glycerol 1-Tetracosanoyl-2-tetracosanoyl-3-(9Z-hexadecenoyl)-glycerol TAG(24:0/24:0/16:1) TAG(64:1) TG(24:0/24:0/16:1) TG(64:1) Tracylglycerol(24:0/24:0/16:1) Tracylglycerol(64:1) Triacylglycerol Triglyceride TG(24:0/24:0/16:1(9Z)) C67H128O6 1029.755 1028.971091842 (2S)-1-[(9Z)-hexadec-9-enoyloxy]-3-(tetracosanoyloxy)propan-2-yl tetracosanoate (2S)-1-[(9Z)-hexadec-9-enoyloxy]-3-(tetracosanoyloxy)propan-2-yl tetracosanoate [H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC InChI=1S/C67H128O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-35-37-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-38-36-34-32-30-28-26-23-20-17-14-11-8-5-2/h21,24,64H,4-20,22-23,25-63H2,1-3H3/b24-21-/t64-/m1/s1 QCAAQSLLFSEJSM-LQXLHNNNSA-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 (2S)-1-[(9Z)-hexadec-9-enoyloxy]-3-(tetracosanoyloxy)propan-2-yl tetracosanoate ChemAxon average_mass 1029.755 ChemAxon mono_mass 1028.971091842 ChemAxon smiles [H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC ChemAxon formula C67H128O6 ChemAxon inchi InChI=1S/C67H128O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-35-37-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-38-36-34-32-30-28-26-23-20-17-14-11-8-5-2/h21,24,64H,4-20,22-23,25-63H2,1-3H3/b24-21-/t64-/m1/s1 ChemAxon inchikey QCAAQSLLFSEJSM-LQXLHNNNSA-N ChemAxon polar_surface_area 78.9 ChemAxon refractivity 316.02 ChemAxon polarizability 142.34 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::MsMs 661132 Specdb::MsMs 661133 Specdb::MsMs 661134 Specdb::MsMs 961093 Specdb::MsMs 961094 Specdb::MsMs 961095 Specdb::MsMs 2346242 Specdb::MsMs 2346243 Specdb::MsMs 2346244 Specdb::MsMs 2592835 Specdb::MsMs 2592836 Specdb::MsMs 2592837 Specdb::MsMs 2650715 Specdb::MsMs 2650716 Specdb::MsMs 2650717 Specdb::MsMs 3067712 Specdb::MsMs 3067713 Specdb::MsMs 3067714 Specdb::MsMs 3112001 Specdb::MsMs 3112002 Specdb::MsMs 3112003 131757994