1.0 2020-03-26 00:02:40 UTC 2020-04-22 19:22:25 UTC BMDB0100280 TG(20:0/20:4(5Z,8Z,11Z,14Z)/22:5(4Z,7Z,10Z,13Z,16Z)) 1-Arachidonyl-2-arachidonoyl-3-osbondoyl-glycerol 1-Eicosanoyl-2-(5Z,8Z,11Z,14Z-eicosatetraenoyl)-3-(4Z,7Z,10Z,13Z,16Z-docosapentaenoyl)-glycerol TAG(20:0/20:4/22:5) TAG(62:9) TG(20:0/20:4/22:5) TG(62:9) Tracylglycerol(20:0/20:4/22:5) Tracylglycerol(62:9) Triacylglycerol Triglyceride TG(20:0/20:4(5Z,8Z,11Z,14Z)/22:5(4Z,7Z,10Z,13Z,16Z)) C65H108O6 985.573 984.814591198 (2S)-2-[(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoyloxy]-3-(icosanoyloxy)propyl (4Z,7Z,10Z,13Z,16Z)-docosa-4,7,10,13,16-pentaenoate (2S)-2-[(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoyloxy]-3-(icosanoyloxy)propyl (4Z,7Z,10Z,13Z,16Z)-docosa-4,7,10,13,16-pentaenoate [H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)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/h16,18-19,21,25,27-28,30,32,35,38,40-41,43,47,49-50,52,62H,4-15,17,20,22-24,26,29,31,33-34,36-37,39,42,44-46,48,51,53-61H2,1-3H3/b19-16-,21-18-,28-25-,30-27-,35-32-,41-38-,43-40-,50-47-,52-49-/t62-/m0/s1 LXUJKSQFPOCCMO-LJNGHNHHSA-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 10.77 ALOGPS logs -8.29 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-(icosanoyloxy)propyl (4Z,7Z,10Z,13Z,16Z)-docosa-4,7,10,13,16-pentaenoate ChemAxon average_mass 985.573 ChemAxon mono_mass 984.814591198 ChemAxon smiles [H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)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/h16,18-19,21,25,27-28,30,32,35,38,40-41,43,47,49-50,52,62H,4-15,17,20,22-24,26,29,31,33-34,36-37,39,42,44-46,48,51,53-61H2,1-3H3/b19-16-,21-18-,28-25-,30-27-,35-32-,41-38-,43-40-,50-47-,52-49-/t62-/m0/s1 ChemAxon inchikey LXUJKSQFPOCCMO-LJNGHNHHSA-N ChemAxon polar_surface_area 78.9 ChemAxon refractivity 315.75 ChemAxon polarizability 126.42 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 662908 Specdb::MsMs 662909 Specdb::MsMs 662910 Specdb::MsMs 961714 Specdb::MsMs 961715 Specdb::MsMs 961716 Specdb::MsMs 2588551 Specdb::MsMs 2588552 Specdb::MsMs 2588553 Specdb::MsMs 2651360 Specdb::MsMs 2651361 Specdb::MsMs 2651362 Specdb::MsMs 2738401 Specdb::MsMs 2738402 Specdb::MsMs 2738403 Specdb::MsMs 2971302 Specdb::MsMs 2971303 Specdb::MsMs 2971304 Specdb::MsMs 3110471 Specdb::MsMs 3110472 Specdb::MsMs 3110473 131756951