1.0 2020-03-26 00:15:09 UTC 2020-04-22 19:23:23 UTC BMDB0100435 TG(20:0/20:5(5Z,8Z,11Z,14Z,17Z)/20:0) TG(20:0/20:5/20:0) TAG(20:0/20:5/20:0) Tracylglycerol(60:5) TAG(60:5) Triglyceride Tracylglycerol(20:0/20:5/20:0) TG(60:5) 1-Arachidonyl-2-eicosapentaenoyl-3-arachidonyl-glycerol 1-Eicosanoyl-2-(5Z,8Z,11Z,14Z,17Z-eicosapentaenoyl)-3-eicosanoyl-glycerol Triacylglycerol TG(20:0/20:5(5Z,8Z,11Z,14Z,17Z)/20:0) C63H112O6 965.5598 964.845891316 1,3-bis(icosanoyloxy)propan-2-yl (5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoate 1,3-bis(icosanoyloxy)propan-2-yl (5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoate [H]C(COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC InChI=1S/C63H112O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-61(64)67-58-60(69-63(66)57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h9,12,18,21,27,30,36,39,45,48,60H,4-8,10-11,13-17,19-20,22-26,28-29,31-35,37-38,40-44,46-47,49-59H2,1-3H3/b12-9-,21-18-,30-27-,39-36-,48-45- ZFWLBSAZUANAAS-PBXDZALFSA-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 10.94 ALOGPS logs -8.20 ALOGPS logp 22.45 ChemAxon pka_strongest_basic -6.6 ChemAxon iupac 1,3-bis(icosanoyloxy)propan-2-yl (5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoate ChemAxon average_mass 965.5598 ChemAxon mono_mass 964.845891316 ChemAxon smiles [H]C(COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC ChemAxon formula C63H112O6 ChemAxon inchi InChI=1S/C63H112O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-61(64)67-58-60(69-63(66)57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h9,12,18,21,27,30,36,39,45,48,60H,4-8,10-11,13-17,19-20,22-26,28-29,31-35,37-38,40-44,46-47,49-59H2,1-3H3/b12-9-,21-18-,30-27-,39-36-,48-45- ChemAxon inchikey ZFWLBSAZUANAAS-PBXDZALFSA-N ChemAxon polar_surface_area 78.9 ChemAxon refractivity 302.09 ChemAxon polarizability 128.43 ChemAxon rotatable_bond_count 57 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 240656 Specdb::MsMs 579178 Specdb::MsMs 579179 Specdb::MsMs 579180 Specdb::MsMs 2665315 Specdb::MsMs 2665316 Specdb::MsMs 2665317 Specdb::MsMs 2846555 Specdb::MsMs 2846556 Specdb::MsMs 2846557 Specdb::MsMs 2862439 Specdb::MsMs 2862440 Specdb::MsMs 2862441 Specdb::MsMs 3046948 Specdb::MsMs 3046949 Specdb::MsMs 3046950 Specdb::MsMs 3069252 Specdb::MsMs 3069253 Specdb::MsMs 3069254 131757102