1.0 2020-03-26 12:21:18 UTC 2020-04-22 20:17:08 UTC BMDB0108904 TG(18:3(9Z,12Z,15Z)/20:1(11Z)/18:4(6Z,9Z,12Z,15Z)) 1-(9Z,12Z,15Z-Octadeatrienoyl)-2-(11-eicosenoyl)-3-(6Z,9Z,12Z,15Z-octadecatetraenoyl)-glycerol 1-a-Linolenoyl-2-eicosenoyl-3-stearidonoyl-glycerol TAG(18:3/20:1/18:4) TAG(56:8) TG(18:3/20:1/18:4) TG(56:8) Tracylglycerol(18:3/20:1/18:4) Tracylglycerol(56:8) Triacylglycerol Triglyceride TG(18:3(9Z,12Z,15Z)/20:1(11Z)/18:4(6Z,9Z,12Z,15Z)) C59H98O6 903.427 902.736340876 (2S)-1-[(6Z,9Z,12Z,15Z)-octadeca-6,9,12,15-tetraenoyloxy]-3-[(9Z,12Z,15Z)-octadeca-9,12,15-trienoyloxy]propan-2-yl (11Z)-icos-11-enoate (2S)-1-[(6Z,9Z,12Z,15Z)-octadeca-6,9,12,15-tetraenoyloxy]-3-[(9Z,12Z,15Z)-octadeca-9,12,15-trienoyloxy]propan-2-yl (11Z)-icos-11-enoate [H][C@](COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC InChI=1S/C59H98O6/c1-4-7-10-13-16-19-22-25-28-29-32-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2)55-64-58(61)52-49-46-43-40-37-34-31-27-24-21-18-15-12-9-6-3/h8-9,11-12,17-18,20-21,25-28,30-31,36,39,56H,4-7,10,13-16,19,22-24,29,32-35,37-38,40-55H2,1-3H3/b11-8-,12-9-,20-17-,21-18-,28-25-,30-26-,31-27-,39-36-/t56-/m1/s1 PZFYNMHZMAJBKC-CNHSECOKSA-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 10.49 ALOGPS logs -8.25 ALOGPS logp 19.59 ChemAxon pka_strongest_basic -6.6 ChemAxon iupac (2S)-1-[(6Z,9Z,12Z,15Z)-octadeca-6,9,12,15-tetraenoyloxy]-3-[(9Z,12Z,15Z)-octadeca-9,12,15-trienoyloxy]propan-2-yl (11Z)-icos-11-enoate ChemAxon average_mass 903.427 ChemAxon mono_mass 902.736340876 ChemAxon smiles [H][C@](COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC ChemAxon formula C59H98O6 ChemAxon inchi InChI=1S/C59H98O6/c1-4-7-10-13-16-19-22-25-28-29-32-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2)55-64-58(61)52-49-46-43-40-37-34-31-27-24-21-18-15-12-9-6-3/h8-9,11-12,17-18,20-21,25-28,30-31,36,39,56H,4-7,10,13-16,19,22-24,29,32-35,37-38,40-55H2,1-3H3/b11-8-,12-9-,20-17-,21-18-,28-25-,30-26-,31-27-,39-36-/t56-/m1/s1 ChemAxon inchikey PZFYNMHZMAJBKC-CNHSECOKSA-N ChemAxon polar_surface_area 78.9 ChemAxon refractivity 287.03 ChemAxon polarizability 115.94 ChemAxon rotatable_bond_count 50 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 655852 Specdb::MsMs 655853 Specdb::MsMs 655854 Specdb::MsMs 958918 Specdb::MsMs 958919 Specdb::MsMs 958920 Specdb::MsMs 2550510 Specdb::MsMs 2550511 Specdb::MsMs 2550512 Specdb::MsMs 2662579 Specdb::MsMs 2662580 Specdb::MsMs 2662581 Specdb::MsMs 2763001 Specdb::MsMs 2763002 Specdb::MsMs 2763003 Specdb::MsMs 2845010 Specdb::MsMs 2845011 Specdb::MsMs 2845012 Specdb::MsMs 2861020 Specdb::MsMs 2861021 Specdb::MsMs 2861022 131765759