1.0 2020-03-26 07:57:51 UTC 2020-04-22 19:55:15 UTC BMDB0105465 TG(22:1(13Z)/18:2(9Z,12Z)/20:4(5Z,8Z,11Z,14Z)) 1-(13Z-Docosenoyl)-2-(9Z,12Z-octadecadienoyl)-3-(5Z,8Z,11Z,14Z-eicosatetraenoyl)-glycerol 1-Erucoyl-2-linoleoyl-3-arachidonoyl-glycerol TAG(22:1/18:2/20:4) TAG(60:7) TG(22:1/18:2/20:4) TG(60:7) Tracylglycerol(22:1/18:2/20:4) Tracylglycerol(60:7) Triacylglycerol Triglyceride TG(22:1(13Z)/18:2(9Z,12Z)/20:4(5Z,8Z,11Z,14Z)) C63H108O6 961.551 960.814591198 (2S)-3-[(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoyloxy]-2-[(9Z,12Z)-octadeca-9,12-dienoyloxy]propyl (13Z)-docos-13-enoate (2S)-3-[(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoyloxy]-2-[(9Z,12Z)-octadeca-9,12-dienoyloxy]propyl (13Z)-docos-13-enoate [H][C@](COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC InChI=1S/C63H108O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-34-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h17-18,20-21,25-29,34-35,37,43,46,60H,4-16,19,22-24,30-33,36,38-42,44-45,47-59H2,1-3H3/b20-17-,21-18-,28-25-,29-26-,34-27-,37-35-,46-43-/t60-/m1/s1 FYYKNHMLZOFEHT-RZLAVSSMSA-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 10.83 ALOGPS logs -8.09 ALOGPS logp 21.73 ChemAxon pka_strongest_basic -6.6 ChemAxon iupac (2S)-3-[(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoyloxy]-2-[(9Z,12Z)-octadeca-9,12-dienoyloxy]propyl (13Z)-docos-13-enoate ChemAxon average_mass 961.551 ChemAxon mono_mass 960.814591198 ChemAxon smiles [H][C@](COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC ChemAxon formula C63H108O6 ChemAxon inchi InChI=1S/C63H108O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-34-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h17-18,20-21,25-29,34-35,37,43,46,60H,4-16,19,22-24,30-33,36,38-42,44-45,47-59H2,1-3H3/b20-17-,21-18-,28-25-,29-26-,34-27-,37-35-,46-43-/t60-/m1/s1 ChemAxon inchikey FYYKNHMLZOFEHT-RZLAVSSMSA-N ChemAxon polar_surface_area 78.9 ChemAxon refractivity 304.32 ChemAxon polarizability 125.76 ChemAxon rotatable_bond_count 55 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 665650 Specdb::MsMs 665651 Specdb::MsMs 665652 Specdb::MsMs 962818 Specdb::MsMs 962819 Specdb::MsMs 962820 Specdb::MsMs 2598637 Specdb::MsMs 2598638 Specdb::MsMs 2598639 Specdb::MsMs 2705882 Specdb::MsMs 2705883 Specdb::MsMs 2705884 Specdb::MsMs 2768126 Specdb::MsMs 2768127 Specdb::MsMs 2768128 Specdb::MsMs 2904366 Specdb::MsMs 2904367 Specdb::MsMs 2904368 Specdb::MsMs 2913293 Specdb::MsMs 2913294 Specdb::MsMs 2913295 131762381