1.0 2020-03-25 21:19:37 UTC 2020-04-22 19:16:05 UTC BMDB0099278 TG(18:0/20:0/22:5(4Z,7Z,10Z,13Z,16Z)) 1-Octadecanoyl-2-eicosanoyl-3-(4Z,7Z,10Z,13Z,16Z-docosapentaenoyl)-glycerol 1-Stearoyl-2-arachidonyl-3-osbondoyl-glycerol TAG(18:0/20:0/22:5) TAG(60:5) TG(18:0/20:0/22:5) TG(60:5) Tracylglycerol(18:0/20:0/22:5) Tracylglycerol(60:5) Triacylglycerol Triglyceride TG(18:0/20:0/22:5(4Z,7Z,10Z,13Z,16Z)) C63H112O6 965.583 964.845891326 (2S)-2-(icosanoyloxy)-3-(octadecanoyloxy)propyl (4Z,7Z,10Z,13Z,16Z)-docosa-4,7,10,13,16-pentaenoate (2S)-2-(icosanoyloxy)-3-(octadecanoyloxy)propyl (4Z,7Z,10Z,13Z,16Z)-docosa-4,7,10,13,16-pentaenoate [H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCCCC InChI=1S/C63H112O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h16,19,25,28,31,33,38,41,47,50,60H,4-15,17-18,20-24,26-27,29-30,32,34-37,39-40,42-46,48-49,51-59H2,1-3H3/b19-16-,28-25-,33-31-,41-38-,50-47-/t60-/m0/s1 QCIAAKBWAXWFOI-AZQLJNOYSA-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 10.95 ALOGPS logs -8.20 ALOGPS logp 22.45 ChemAxon pka_strongest_basic -6.6 ChemAxon iupac (2S)-2-(icosanoyloxy)-3-(octadecanoyloxy)propyl (4Z,7Z,10Z,13Z,16Z)-docosa-4,7,10,13,16-pentaenoate ChemAxon average_mass 965.583 ChemAxon mono_mass 964.845891326 ChemAxon smiles [H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCCCC ChemAxon formula C63H112O6 ChemAxon inchi InChI=1S/C63H112O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h16,19,25,28,31,33,38,41,47,50,60H,4-15,17-18,20-24,26-27,29-30,32,34-37,39-40,42-46,48-49,51-59H2,1-3H3/b19-16-,28-25-,33-31-,41-38-,50-47-/t60-/m0/s1 ChemAxon inchikey QCIAAKBWAXWFOI-AZQLJNOYSA-N ChemAxon polar_surface_area 78.9 ChemAxon refractivity 302.09 ChemAxon polarizability 127.84 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 242010 Specdb::MsMs 639145 Specdb::MsMs 639146 Specdb::MsMs 639147 Specdb::MsMs 952426 Specdb::MsMs 952427 Specdb::MsMs 952428 Specdb::MsMs 2421888 Specdb::MsMs 2421889 Specdb::MsMs 2421890 Specdb::MsMs 2735480 Specdb::MsMs 2735481 Specdb::MsMs 2735482 Specdb::MsMs 2814191 Specdb::MsMs 2814192 Specdb::MsMs 2814193 Specdb::MsMs 2851537 Specdb::MsMs 2851538 Specdb::MsMs 2851539 Specdb::MsMs 2890828 Specdb::MsMs 2890829 Specdb::MsMs 2890830 131755817