1.0 2020-03-26 04:08:11 UTC 2020-04-22 19:38:31 UTC BMDB0102823 TG(16:1(9Z)/18:2(9Z,12Z)/16:1(9Z)) 1-(9Z-Hexadecenoyl)-2-(9Z,12Z-octadecadienoyl)-3-(9Z-hexadecenoyl)-glycerol 1-Palmitoleoyl-2-linoleoyl-3-palmitoleoyl-glycerol TAG(16:1/18:2/16:1) TAG(50:4) TG(16:1/18:2/16:1) TG(50:4) Tracylglycerol(16:1/18:2/16:1) Tracylglycerol(50:4) Triacylglycerol Triglyceride TG(16:1(9Z)/18:2(9Z,12Z)/16:1(9Z)) C53H94O6 827.329 826.705040747 1,3-bis[(9Z)-hexadec-9-enoyloxy]propan-2-yl (9Z,12Z)-octadeca-9,12-dienoate 1,3-bis[(9Z)-hexadec-9-enoyloxy]propan-2-yl (9Z,12Z)-octadeca-9,12-dienoate [H]C(COC(=O)CCCCCCC\C=C/CCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC InChI=1S/C53H94O6/c1-4-7-10-13-16-19-22-25-26-29-32-35-38-41-44-47-53(56)59-50(48-57-51(54)45-42-39-36-33-30-27-23-20-17-14-11-8-5-2)49-58-52(55)46-43-40-37-34-31-28-24-21-18-15-12-9-6-3/h16,19-21,23-26,50H,4-15,17-18,22,27-49H2,1-3H3/b19-16-,23-20-,24-21-,26-25- PDBJSNHIVXKEOI-BGWVPBAESA-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 Lineolic acids and 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 Octadecanoid Organic oxide Organic oxygen compound Organooxygen compound Triacyl-sn-glycerol Tricarboxylic acid or derivatives Aliphatic acyclic compounds logp 10.67 ALOGPS logs -8.09 ALOGPS logp 18.37 ChemAxon pka_strongest_basic -6.6 ChemAxon iupac 1,3-bis[(9Z)-hexadec-9-enoyloxy]propan-2-yl (9Z,12Z)-octadeca-9,12-dienoate ChemAxon average_mass 827.329 ChemAxon mono_mass 826.705040747 ChemAxon smiles [H]C(COC(=O)CCCCCCC\C=C/CCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC ChemAxon formula C53H94O6 ChemAxon inchi InChI=1S/C53H94O6/c1-4-7-10-13-16-19-22-25-26-29-32-35-38-41-44-47-53(56)59-50(48-57-51(54)45-42-39-36-33-30-27-23-20-17-14-11-8-5-2)49-58-52(55)46-43-40-37-34-31-28-24-21-18-15-12-9-6-3/h16,19-21,23-26,50H,4-15,17-18,22,27-49H2,1-3H3/b19-16-,23-20-,24-21-,26-25- ChemAxon inchikey PDBJSNHIVXKEOI-BGWVPBAESA-N ChemAxon polar_surface_area 78.9 ChemAxon refractivity 254.96 ChemAxon polarizability 107.38 ChemAxon rotatable_bond_count 48 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 675358 Specdb::MsMs 675359 Specdb::MsMs 675360 Specdb::MsMs 966709 Specdb::MsMs 966710 Specdb::MsMs 966711 Specdb::MsMs 2388848 Specdb::MsMs 2388849 Specdb::MsMs 2388850 Specdb::MsMs 2484534 Specdb::MsMs 2484535 Specdb::MsMs 2484536 Specdb::MsMs 2542463 Specdb::MsMs 2542464 Specdb::MsMs 2542465 Specdb::MsMs 2573075 Specdb::MsMs 2573076 Specdb::MsMs 2573077 Specdb::MsMs 2748379 Specdb::MsMs 2748380 Specdb::MsMs 2748381 131759559