1.0 2020-03-26 12:27:14 UTC 2020-04-22 20:17:36 UTC BMDB0108979 TG(18:3(9Z,12Z,15Z)/18:3(9Z,12Z,15Z)/20:5(5Z,8Z,11Z,14Z,17Z)) 1-(9Z,12Z,15Z-Octadeatrienoyl)-2-(9Z,12Z,15Z-octadeatrienoyl)-3-(5Z,8Z,11Z,14Z,17Z-eicosapentaenoyl)-glycerol 1-a-Linolenoyl-2-a-linolenoyl-3-eicosapentaenoyl-glycerol TAG(18:3/18:3/20:5) TAG(56:11) TG(18:3/18:3/20:5) TG(56:11) Tracylglycerol(18:3/18:3/20:5) Tracylglycerol(56:11) Triacylglycerol Triglyceride TG(18:3(9Z,12Z,15Z)/18:3(9Z,12Z,15Z)/20:5(5Z,8Z,11Z,14Z,17Z)) C59H92O6 897.379 896.689390682 (2S)-2,3-bis[(9Z,12Z,15Z)-octadeca-9,12,15-trienoyloxy]propyl (5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoate (2S)-2,3-bis[(9Z,12Z,15Z)-octadeca-9,12,15-trienoyloxy]propyl (5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoate [H][C@](COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC InChI=1S/C59H92O6/c1-4-7-10-13-16-19-22-25-28-29-32-34-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-35-31-27-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2/h7-12,16-21,25-28,30-32,34,40,43,56H,4-6,13-15,22-24,29,33,35-39,41-42,44-55H2,1-3H3/b10-7-,11-8-,12-9-,19-16-,20-17-,21-18-,28-25-,30-26-,31-27-,34-32-,43-40-/t56-/m0/s1 BDWVZROSCVNRRG-XHLQFJOFSA-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 9.53 ALOGPS logs -8.10 ALOGPS logp 18.5 ChemAxon pka_strongest_basic -6.6 ChemAxon iupac (2S)-2,3-bis[(9Z,12Z,15Z)-octadeca-9,12,15-trienoyloxy]propyl (5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoate ChemAxon average_mass 897.379 ChemAxon mono_mass 896.689390682 ChemAxon smiles [H][C@](COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC ChemAxon formula C59H92O6 ChemAxon inchi InChI=1S/C59H92O6/c1-4-7-10-13-16-19-22-25-28-29-32-34-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-35-31-27-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2/h7-12,16-21,25-28,30-32,34,40,43,56H,4-6,13-15,22-24,29,33,35-39,41-42,44-55H2,1-3H3/b10-7-,11-8-,12-9-,19-16-,20-17-,21-18-,28-25-,30-26-,31-27-,34-32-,43-40-/t56-/m0/s1 ChemAxon inchikey BDWVZROSCVNRRG-XHLQFJOFSA-N ChemAxon polar_surface_area 78.9 ChemAxon refractivity 290.38 ChemAxon polarizability 111.37 ChemAxon rotatable_bond_count 47 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 217433 Specdb::MsMs 613621 Specdb::MsMs 613622 Specdb::MsMs 613623 Specdb::MsMs 942040 Specdb::MsMs 942041 Specdb::MsMs 942042 Specdb::MsMs 2270785 Specdb::MsMs 2270786 Specdb::MsMs 2270787 Specdb::MsMs 2290791 Specdb::MsMs 2290792 Specdb::MsMs 2290793 Specdb::MsMs 2527410 Specdb::MsMs 2527411 Specdb::MsMs 2527412 Specdb::MsMs 3036536 Specdb::MsMs 3036537 Specdb::MsMs 3036538 Specdb::MsMs 3068330 Specdb::MsMs 3068331 Specdb::MsMs 3068332 131765835