1.0 2020-03-25 17:16:15 UTC 2020-04-22 19:05:06 UTC BMDB0097542 TG(14:0/22:2(13Z,16Z)/18:1(9Z)) 1-Myristoyl-2-docosadienoyl-3-oleoyl-glycerol 1-Tetradecanoyl-2-(13Z,16Z-docosadienoyl)-3-(9Z-octadecenoyl)-glycerol TAG(14:0/22:2/18:1) TAG(54:3) TG(14:0/22:2/18:1) TG(54:3) Tracylglycerol(14:0/22:2/18:1) Tracylglycerol(54:3) Triacylglycerol Triglyceride TG(14:0/22:2(13Z,16Z)/18:1(9Z)) C57H104O6 885.453 884.783291069 (2S)-1-[(9Z)-octadec-9-enoyloxy]-3-(tetradecanoyloxy)propan-2-yl (13Z,16Z)-docosa-13,16-dienoate (2S)-1-[(9Z)-octadec-9-enoyloxy]-3-(tetradecanoyloxy)propan-2-yl (13Z,16Z)-docosa-13,16-dienoate [H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC InChI=1S/C57H104O6/c1-4-7-10-13-16-19-22-24-26-27-28-29-31-33-36-39-42-45-48-51-57(60)63-54(52-61-55(58)49-46-43-40-37-34-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-30-25-23-20-17-14-11-8-5-2/h16,19,24-26,30,54H,4-15,17-18,20-23,27-29,31-53H2,1-3H3/b19-16-,26-24-,30-25-/t54-/m0/s1 JCFQRCZDNUSJCL-AILSCRDTSA-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 10.82 ALOGPS logs -8.13 ALOGPS logp 20.51 ChemAxon pka_strongest_basic -6.6 ChemAxon iupac (2S)-1-[(9Z)-octadec-9-enoyloxy]-3-(tetradecanoyloxy)propan-2-yl (13Z,16Z)-docosa-13,16-dienoate ChemAxon average_mass 885.453 ChemAxon mono_mass 884.783291069 ChemAxon smiles [H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC ChemAxon formula C57H104O6 ChemAxon inchi InChI=1S/C57H104O6/c1-4-7-10-13-16-19-22-24-26-27-28-29-31-33-36-39-42-45-48-51-57(60)63-54(52-61-55(58)49-46-43-40-37-34-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-30-25-23-20-17-14-11-8-5-2/h16,19,24-26,30,54H,4-15,17-18,20-23,27-29,31-53H2,1-3H3/b19-16-,26-24-,30-25-/t54-/m0/s1 ChemAxon inchikey JCFQRCZDNUSJCL-AILSCRDTSA-N ChemAxon polar_surface_area 78.9 ChemAxon refractivity 272.25 ChemAxon polarizability 117.12 ChemAxon rotatable_bond_count 53 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 636157 Specdb::MsMs 636158 Specdb::MsMs 636159 Specdb::MsMs 951187 Specdb::MsMs 951188 Specdb::MsMs 951189 Specdb::MsMs 2451580 Specdb::MsMs 2451581 Specdb::MsMs 2451582 Specdb::MsMs 2471997 Specdb::MsMs 2471998 Specdb::MsMs 2471999 Specdb::MsMs 2475908 Specdb::MsMs 2475909 Specdb::MsMs 2475910 Specdb::MsMs 2487888 Specdb::MsMs 2487889 Specdb::MsMs 2487890 Specdb::MsMs 2899404 Specdb::MsMs 2899405 Specdb::MsMs 2899406 131753808