1.0 2020-03-26 11:58:30 UTC 2020-04-22 20:15:18 UTC BMDB0108616 TG(22:5(4Z,7Z,10Z,13Z,16Z)/16:0/22:5(4Z,7Z,10Z,13Z,16Z)) TG(22:5/16:0/22:5) TG(60:10) Tracylglycerol(60:10) Triglyceride TAG(22:5/16:0/22:5) TAG(60:10) Tracylglycerol(22:5/16:0/22:5) 1-Osbondoyl-2-palmitoyl-3-osbondoyl-glycerol 1-(4Z,7Z,10Z,13Z,16Z-Docosapentaenoyl)-2-hexadecanoyl-3-(4Z,7Z,10Z,13Z,16Z-docosapentaenoyl)-glycerol Triacylglycerol TG(22:5(4Z,7Z,10Z,13Z,16Z)/16:0/22:5(4Z,7Z,10Z,13Z,16Z)) C63H102O6 955.4804 954.767640996 3-[(4Z,7Z,10Z,13Z,16Z)-docosa-4,7,10,13,16-pentaenoyloxy]-2-(hexadecanoyloxy)propyl (4Z,7Z,10Z,13Z,16Z)-docosa-4,7,10,13,16-pentaenoate 3-[(4Z,7Z,10Z,13Z,16Z)-docosa-4,7,10,13,16-pentaenoyloxy]-2-(hexadecanoyloxy)propyl (4Z,7Z,10Z,13Z,16Z)-docosa-4,7,10,13,16-pentaenoate [H]C(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCC InChI=1S/C63H102O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-35-38-40-43-46-49-52-55-61(64)67-58-60(69-63(66)57-54-51-48-45-42-37-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-39-36-34-32-30-28-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-28,31-34,38-41,46-47,49-50,60H,4-15,18,21-24,29-30,35-37,42-45,48,51-59H2,1-3H3/b19-16-,20-17-,27-25-,28-26-,33-31-,34-32-,40-38-,41-39-,49-46-,50-47- YYUUNOIKGZVQNL-JMHIZBIHSA-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 10.44 ALOGPS logs -8.30 ALOGPS logp 20.64 ChemAxon pka_strongest_basic -6.6 ChemAxon iupac 3-[(4Z,7Z,10Z,13Z,16Z)-docosa-4,7,10,13,16-pentaenoyloxy]-2-(hexadecanoyloxy)propyl (4Z,7Z,10Z,13Z,16Z)-docosa-4,7,10,13,16-pentaenoate ChemAxon average_mass 955.4804 ChemAxon mono_mass 954.767640996 ChemAxon smiles [H]C(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCC ChemAxon formula C63H102O6 ChemAxon inchi InChI=1S/C63H102O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-35-38-40-43-46-49-52-55-61(64)67-58-60(69-63(66)57-54-51-48-45-42-37-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-39-36-34-32-30-28-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-28,31-34,38-41,46-47,49-50,60H,4-15,18,21-24,29-30,35-37,42-45,48,51-59H2,1-3H3/b19-16-,20-17-,27-25-,28-26-,33-31-,34-32-,40-38-,41-39-,49-46-,50-47- ChemAxon inchikey YYUUNOIKGZVQNL-JMHIZBIHSA-N ChemAxon polar_surface_area 78.9 ChemAxon refractivity 307.67 ChemAxon polarizability 120.25 ChemAxon rotatable_bond_count 52 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 607048 Specdb::MsMs 607049 Specdb::MsMs 607050 Specdb::MsMs 2591527 Specdb::MsMs 2591528 Specdb::MsMs 2591529 Specdb::MsMs 2651108 Specdb::MsMs 2651109 Specdb::MsMs 2651110 Specdb::MsMs 2708279 Specdb::MsMs 2708280 Specdb::MsMs 2708281 Specdb::MsMs 3001288 Specdb::MsMs 3001289 Specdb::MsMs 3001290 Specdb::MsMs 3110708 Specdb::MsMs 3110709 Specdb::MsMs 3110710 131765469