1.0 2020-03-26 00:13:42 UTC 2020-04-22 19:23:17 UTC BMDB0100417 TG(20:0/20:4(8Z,11Z,14Z,17Z)/20:3(5Z,8Z,11Z)) 1-Arachidonyl-2-eicsoatetraenoyl-3-meadoyl-glycerol 1-Eicosanoyl-2-(8Z,11Z,14Z,17Z-eicosapentaenoyl)-3-(5Z,8Z,11Z-eicosatrienoyl)-glycerol TAG(20:0/20:4/20:3) TAG(60:7) TG(20:0/20:4/20:3) TG(60:7) Tracylglycerol(20:0/20:4/20:3) Tracylglycerol(60:7) Triacylglycerol Triglyceride TG(20:0/20:4(8Z,11Z,14Z,17Z)/20:3(5Z,8Z,11Z)) C63H108O6 961.551 960.814591198 (2S)-1-[(5Z,8Z,11Z)-icosa-5,8,11-trienoyloxy]-3-(icosanoyloxy)propan-2-yl (8Z,11Z,14Z,17Z)-icosa-8,11,14,17-tetraenoate (2S)-1-[(5Z,8Z,11Z)-icosa-5,8,11-trienoyloxy]-3-(icosanoyloxy)propan-2-yl (8Z,11Z,14Z,17Z)-icosa-8,11,14,17-tetraenoate [H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC InChI=1S/C63H108O6/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/h9,12,18,21,25,27-28,30,34,36-37,39,43,46,60H,4-8,10-11,13-17,19-20,22-24,26,29,31-33,35,38,40-42,44-45,47-59H2,1-3H3/b12-9-,21-18-,28-25-,30-27-,37-34-,39-36-,46-43-/t60-/m1/s1 UENIZIUNYHNISU-UEZAZLNNSA-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 10.88 ALOGPS logs -8.09 ALOGPS logp 21.73 ChemAxon pka_strongest_basic -6.6 ChemAxon iupac (2S)-1-[(5Z,8Z,11Z)-icosa-5,8,11-trienoyloxy]-3-(icosanoyloxy)propan-2-yl (8Z,11Z,14Z,17Z)-icosa-8,11,14,17-tetraenoate ChemAxon average_mass 961.551 ChemAxon mono_mass 960.814591198 ChemAxon smiles [H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC ChemAxon formula C63H108O6 ChemAxon inchi InChI=1S/C63H108O6/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/h9,12,18,21,25,27-28,30,34,36-37,39,43,46,60H,4-8,10-11,13-17,19-20,22-24,26,29,31-33,35,38,40-42,44-45,47-59H2,1-3H3/b12-9-,21-18-,28-25-,30-27-,37-34-,39-36-,46-43-/t60-/m1/s1 ChemAxon inchikey UENIZIUNYHNISU-UEZAZLNNSA-N ChemAxon polar_surface_area 78.9 ChemAxon refractivity 304.32 ChemAxon polarizability 126.34 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::CMs 217169 Specdb::MsMs 581668 Specdb::MsMs 581669 Specdb::MsMs 581670 Specdb::MsMs 929149 Specdb::MsMs 929150 Specdb::MsMs 929151 Specdb::MsMs 2275161 Specdb::MsMs 2275162 Specdb::MsMs 2275163 Specdb::MsMs 2352427 Specdb::MsMs 2352428 Specdb::MsMs 2352429 Specdb::MsMs 2409355 Specdb::MsMs 2409356 Specdb::MsMs 2409357 Specdb::MsMs 2553457 Specdb::MsMs 2553458 Specdb::MsMs 2553459 Specdb::MsMs 2988662 Specdb::MsMs 2988663 Specdb::MsMs 2988664 131757084