1.0 2020-03-26 08:03:03 UTC 2020-04-22 19:55:41 UTC BMDB0105534 TG(22:1(13Z)/20:4(5Z,8Z,11Z,14Z)/20:4(8Z,11Z,14Z,17Z)) 1-(13Z-Docosenoyl)-2-(5Z,8Z,11Z,14Z-eicosatetraenoyl)-3-(8Z,11Z,14Z,17Z-eicosapentaenoyl)-glycerol 1-Erucoyl-2-arachidonoyl-3-eicsoatetraenoyl-glycerol TAG(22:1/20:4/20:4) TAG(62:9) TG(22:1/20:4/20:4) TG(62:9) Tracylglycerol(22:1/20:4/20:4) Tracylglycerol(62:9) Triacylglycerol Triglyceride TG(22:1(13Z)/20:4(5Z,8Z,11Z,14Z)/20:4(8Z,11Z,14Z,17Z)) C65H108O6 985.573 984.814591198 (2S)-2-[(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoyloxy]-3-[(8Z,11Z,14Z,17Z)-icosa-8,11,14,17-tetraenoyloxy]propyl (13Z)-docos-13-enoate (2S)-2-[(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoyloxy]-3-[(8Z,11Z,14Z,17Z)-icosa-8,11,14,17-tetraenoyloxy]propyl (13Z)-docos-13-enoate [H][C@](COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC InChI=1S/C65H108O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-37-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-38-34-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h8,11,17-18,20-21,25-30,36,38-39,41,47,50,62H,4-7,9-10,12-16,19,22-24,31-35,37,40,42-46,48-49,51-61H2,1-3H3/b11-8-,20-17-,21-18-,28-25-,29-26-,30-27-,39-36-,41-38-,50-47-/t62-/m1/s1 KZTLOOGXSGDXHE-KADYLCRXSA-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 10.67 ALOGPS logs -8.30 ALOGPS logp 21.89 ChemAxon pka_strongest_basic -6.6 ChemAxon iupac (2S)-2-[(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoyloxy]-3-[(8Z,11Z,14Z,17Z)-icosa-8,11,14,17-tetraenoyloxy]propyl (13Z)-docos-13-enoate ChemAxon average_mass 985.573 ChemAxon mono_mass 984.814591198 ChemAxon smiles [H][C@](COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC ChemAxon formula C65H108O6 ChemAxon inchi InChI=1S/C65H108O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-37-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-38-34-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h8,11,17-18,20-21,25-30,36,38-39,41,47,50,62H,4-7,9-10,12-16,19,22-24,31-35,37,40,42-46,48-49,51-61H2,1-3H3/b11-8-,20-17-,21-18-,28-25-,29-26-,30-27-,39-36-,41-38-,50-47-/t62-/m1/s1 ChemAxon inchikey KZTLOOGXSGDXHE-KADYLCRXSA-N ChemAxon polar_surface_area 78.9 ChemAxon refractivity 315.75 ChemAxon polarizability 127 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 581254 Specdb::MsMs 581255 Specdb::MsMs 581256 Specdb::MsMs 928981 Specdb::MsMs 928982 Specdb::MsMs 928983 Specdb::MsMs 2271324 Specdb::MsMs 2271325 Specdb::MsMs 2271326 Specdb::MsMs 2417416 Specdb::MsMs 2417417 Specdb::MsMs 2417418 Specdb::MsMs 2517147 Specdb::MsMs 2517148 Specdb::MsMs 2517149 Specdb::MsMs 2547859 Specdb::MsMs 2547860 Specdb::MsMs 2547861 Specdb::MsMs 3014740 Specdb::MsMs 3014741 Specdb::MsMs 3014742 131762443