1.0 2020-03-26 05:22:06 UTC 2020-04-22 19:43:31 UTC BMDB0103614 TG(18:1(11Z)/20:5(5Z,8Z,11Z,14Z,17Z)/18:3(9Z,12Z,15Z)) 1-(11Z-Octadecenoyl)-2-(5Z,8Z,11Z,14Z,17Z-eicosapentaenoyl)-3-(9Z,12Z,15Z-octadeatrienoyl)-glycerol 1-Vaccenoyl-2-eicosapentaenoyl-3-a-linolenoyl-glycerol TAG(18:1/20:5/18:3) TAG(56:9) TG(18:1/20:5/18:3) TG(56:9) Tracylglycerol(18:1/20:5/18:3) Tracylglycerol(56:9) Triacylglycerol Triglyceride TG(18:1(11Z)/20:5(5Z,8Z,11Z,14Z,17Z)/18:3(9Z,12Z,15Z)) C59H96O6 901.411 900.720690811 (2S)-1-[(11Z)-octadec-11-enoyloxy]-3-[(9Z,12Z,15Z)-octadeca-9,12,15-trienoyloxy]propan-2-yl (5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoate (2S)-1-[(11Z)-octadec-11-enoyloxy]-3-[(9Z,12Z,15Z)-octadeca-9,12,15-trienoyloxy]propan-2-yl (5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoate [H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC InChI=1S/C59H96O6/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/h7-8,10-11,16-17,19-21,24-26,28,30,32,35,41,44,56H,4-6,9,12-15,18,22-23,27,29,31,33-34,36-40,42-43,45-55H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,24-21-,28-25-,30-26-,35-32-,44-41-/t56-/m1/s1 ZQYFPDFYJXJUJL-LYZDWMDLSA-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 10.24 ALOGPS logs -8.27 ALOGPS logp 19.22 ChemAxon pka_strongest_basic -6.6 ChemAxon iupac (2S)-1-[(11Z)-octadec-11-enoyloxy]-3-[(9Z,12Z,15Z)-octadeca-9,12,15-trienoyloxy]propan-2-yl (5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoate ChemAxon average_mass 901.411 ChemAxon mono_mass 900.720690811 ChemAxon smiles [H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC ChemAxon formula C59H96O6 ChemAxon inchi InChI=1S/C59H96O6/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/h7-8,10-11,16-17,19-21,24-26,28,30,32,35,41,44,56H,4-6,9,12-15,18,22-23,27,29,31,33-34,36-40,42-43,45-55H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,24-21-,28-25-,30-26-,35-32-,44-41-/t56-/m1/s1 ChemAxon inchikey ZQYFPDFYJXJUJL-LYZDWMDLSA-N ChemAxon polar_surface_area 78.9 ChemAxon refractivity 288.15 ChemAxon polarizability 115.06 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::MsMs 627232 Specdb::MsMs 627233 Specdb::MsMs 627234 Specdb::MsMs 947560 Specdb::MsMs 947561 Specdb::MsMs 947562 Specdb::MsMs 2309922 Specdb::MsMs 2309923 Specdb::MsMs 2309924 Specdb::MsMs 2472591 Specdb::MsMs 2472592 Specdb::MsMs 2472593 Specdb::MsMs 2815057 Specdb::MsMs 2815058 Specdb::MsMs 2815059 Specdb::MsMs 2893205 Specdb::MsMs 2893206 Specdb::MsMs 2893207 Specdb::MsMs 2895403 Specdb::MsMs 2895404 Specdb::MsMs 2895405 131760429