1.0 2020-03-26 03:47:05 UTC 2020-04-22 19:36:59 UTC BMDB0102582 TG(16:1(9Z)/16:0/18:2(9Z,12Z)) 1-(9Z-Hexadecenoyl)-2-hexadecanoyl-3-(9Z,12Z-octadecadienoyl)-glycerol 1-Palmitoleoyl-2-palmitoyl-3-linoleoyl-glycerol TAG(16:1/16:0/18:2) TAG(50:3) TG(16:1/16:0/18:2) TG(50:3) Tracylglycerol(16:1/16:0/18:2) Tracylglycerol(50:3) Triacylglycerol Triglyceride TG(16:1(9Z)/16:0/18:2(9Z,12Z)) C53H96O6 829.345 828.720690811 (2S)-3-[(9Z)-hexadec-9-enoyloxy]-2-(hexadecanoyloxy)propyl (9Z,12Z)-octadeca-9,12-dienoate (2S)-3-[(9Z)-hexadec-9-enoyloxy]-2-(hexadecanoyloxy)propyl (9Z,12Z)-octadeca-9,12-dienoate [H][C@](COC(=O)CCCCCCC\C=C/CCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCC InChI=1S/C53H96O6/c1-4-7-10-13-16-19-22-25-26-29-31-34-37-40-43-46-52(55)58-49-50(59-53(56)47-44-41-38-35-32-28-24-21-18-15-12-9-6-3)48-57-51(54)45-42-39-36-33-30-27-23-20-17-14-11-8-5-2/h16,19-20,23,25-26,50H,4-15,17-18,21-22,24,27-49H2,1-3H3/b19-16-,23-20-,26-25-/t50-/m0/s1 ZGEUTBSZSMYRTR-DMYBLZRSSA-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 10.72 ALOGPS logs -8.11 ALOGPS logp 18.73 ChemAxon pka_strongest_basic -6.6 ChemAxon iupac (2S)-3-[(9Z)-hexadec-9-enoyloxy]-2-(hexadecanoyloxy)propyl (9Z,12Z)-octadeca-9,12-dienoate ChemAxon average_mass 829.345 ChemAxon mono_mass 828.720690811 ChemAxon smiles [H][C@](COC(=O)CCCCCCC\C=C/CCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCC ChemAxon formula C53H96O6 ChemAxon inchi InChI=1S/C53H96O6/c1-4-7-10-13-16-19-22-25-26-29-31-34-37-40-43-46-52(55)58-49-50(59-53(56)47-44-41-38-35-32-28-24-21-18-15-12-9-6-3)48-57-51(54)45-42-39-36-33-30-27-23-20-17-14-11-8-5-2/h16,19-20,23,25-26,50H,4-15,17-18,21-22,24,27-49H2,1-3H3/b19-16-,23-20-,26-25-/t50-/m0/s1 ChemAxon inchikey ZGEUTBSZSMYRTR-DMYBLZRSSA-N ChemAxon polar_surface_area 78.9 ChemAxon refractivity 253.84 ChemAxon polarizability 108.86 ChemAxon rotatable_bond_count 49 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 216951 Specdb::MsMs 685159 Specdb::MsMs 685160 Specdb::MsMs 685161 Specdb::MsMs 970597 Specdb::MsMs 970598 Specdb::MsMs 970599 Specdb::MsMs 2402990 Specdb::MsMs 2402991 Specdb::MsMs 2402992 Specdb::MsMs 2533161 Specdb::MsMs 2533162 Specdb::MsMs 2533163 Specdb::MsMs 2657482 Specdb::MsMs 2657483 Specdb::MsMs 2657484 Specdb::MsMs 2905512 Specdb::MsMs 2905513 Specdb::MsMs 2905514 Specdb::MsMs 3118810 Specdb::MsMs 3118811 Specdb::MsMs 3118812 131759299