1.0 2020-03-26 03:19:29 UTC 2020-04-22 19:34:48 UTC BMDB0102238 TG(14:1(9Z)/18:3(6Z,9Z,12Z)/18:4(6Z,9Z,12Z,15Z)) 1-(9Z-Tetradecenoyl)-2-(6Z,9Z,12Z-octadecatrienoyl)-3-(6Z,9Z,12Z,15Z-octadecatetraenoyl)-glycerol 1-Myristoleoyl-2-g-linolenoyl-3-stearidonoyl-glycerol TAG(14:1/18:3/18:4) TAG(50:8) TG(14:1/18:3/18:4) TG(50:8) Tracylglycerol(14:1/18:3/18:4) Tracylglycerol(50:8) Triacylglycerol Triglyceride TG(14:1(9Z)/18:3(6Z,9Z,12Z)/18:4(6Z,9Z,12Z,15Z)) C53H86O6 819.265 818.642440489 (2S)-2-[(6Z,9Z,12Z)-octadeca-6,9,12-trienoyloxy]-3-[(9Z)-tetradec-9-enoyloxy]propyl (6Z,9Z,12Z,15Z)-octadeca-6,9,12,15-tetraenoate (2S)-2-[(6Z,9Z,12Z)-octadeca-6,9,12-trienoyloxy]-3-[(9Z)-tetradec-9-enoyloxy]propyl (6Z,9Z,12Z,15Z)-octadeca-6,9,12,15-tetraenoate [H][C@](COC(=O)CCCCCCC\C=C/CCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC InChI=1S/C53H86O6/c1-4-7-10-13-16-19-22-24-26-28-31-34-37-40-43-46-52(55)58-49-50(48-57-51(54)45-42-39-36-33-30-21-18-15-12-9-6-3)59-53(56)47-44-41-38-35-32-29-27-25-23-20-17-14-11-8-5-2/h7,10,15-20,24-27,31-32,34-35,50H,4-6,8-9,11-14,21-23,28-30,33,36-49H2,1-3H3/b10-7-,18-15-,19-16-,20-17-,26-24-,27-25-,34-31-,35-32-/t50-/m0/s1 JKQVGCCBOXJUKX-NNZSMWFPSA-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 9.88 ALOGPS logs -8.21 ALOGPS logp 16.92 ChemAxon pka_strongest_basic -6.6 ChemAxon iupac (2S)-2-[(6Z,9Z,12Z)-octadeca-6,9,12-trienoyloxy]-3-[(9Z)-tetradec-9-enoyloxy]propyl (6Z,9Z,12Z,15Z)-octadeca-6,9,12,15-tetraenoate ChemAxon average_mass 819.265 ChemAxon mono_mass 818.642440489 ChemAxon smiles [H][C@](COC(=O)CCCCCCC\C=C/CCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC ChemAxon formula C53H86O6 ChemAxon inchi InChI=1S/C53H86O6/c1-4-7-10-13-16-19-22-24-26-28-31-34-37-40-43-46-52(55)58-49-50(48-57-51(54)45-42-39-36-33-30-21-18-15-12-9-6-3)59-53(56)47-44-41-38-35-32-29-27-25-23-20-17-14-11-8-5-2/h7,10,15-20,24-27,31-32,34-35,50H,4-6,8-9,11-14,21-23,28-30,33,36-49H2,1-3H3/b10-7-,18-15-,19-16-,20-17-,26-24-,27-25-,34-31-,35-32-/t50-/m0/s1 ChemAxon inchikey JKQVGCCBOXJUKX-NNZSMWFPSA-N ChemAxon polar_surface_area 78.9 ChemAxon refractivity 259.43 ChemAxon polarizability 102.59 ChemAxon rotatable_bond_count 44 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 245514 Specdb::MsMs 676726 Specdb::MsMs 676727 Specdb::MsMs 676728 Specdb::MsMs 967312 Specdb::MsMs 967313 Specdb::MsMs 967314 Specdb::MsMs 2349589 Specdb::MsMs 2349590 Specdb::MsMs 2349591 Specdb::MsMs 2386175 Specdb::MsMs 2386176 Specdb::MsMs 2386177 Specdb::MsMs 2698803 Specdb::MsMs 2698804 Specdb::MsMs 2698805 Specdb::MsMs 2914784 Specdb::MsMs 2914785 Specdb::MsMs 2914786 Specdb::MsMs 2983526 Specdb::MsMs 2983527 Specdb::MsMs 2983528 131758950