1.0 2020-03-26 10:27:49 UTC 2020-04-22 20:07:56 UTC BMDB0107453 TG(20:3n6/14:1(9Z)/20:5(5Z,8Z,11Z,14Z,17Z)) 1-(8Z,11Z,14Z-Eicosatrienoyl)-2-(9Z-tetradecenoyl)-3-(5Z,8Z,11Z,14Z,17Z-eicosapentaenoyl)-glycerol 1-Homo-g-linolenoyl-2-myristoleoyl-3-eicosapentaenoyl-glycerol TAG(20:3/14:1/20:5) TAG(20:3n6/14:1/20:5) TAG(20:3W6/14:1/20:5) TAG(54:9) TG(20:3/14:1/20:5) TG(20:3n6/14:1/20:5) TG(20:3W6/14:1/20:5) TG(54:9) Tracylglycerol(20:3/14:1/20:5) Tracylglycerol(20:3n6/14:1/20:5) Tracylglycerol(20:3W6/14:1/20:5) Tracylglycerol(54:9) Triacylglycerol Triglyceride 1-Dihomo-gamma-linolenoyl-2-myristoleoyl-3-eicosapentaenoyl-glycerol TG(20:3n6/14:1n5/20:5n3) TG(20:3W6/14:1W5/20:5W3) Tag(20:3(8Z,11Z,14Z)/14:1(9Z)/20:5(5Z,8Z,11Z,14Z,17Z)) Tag(20:3n6/14:1n5/20:5n3) Tag(20:3W6/14:1W5/20:5W3) Triacylglycerol(20:3(8Z,11Z,14Z)/14:1(9Z)/20:5(5Z,8Z,11Z,14Z,17Z)) Triacylglycerol(20:3/14:1/20:5) Triacylglycerol(20:3n6/14:1n5/20:5n3) Triacylglycerol(20:3W6/14:1W5/20:5W3) Triacylglycerol(54:9) TG(20:3(8Z,11Z,14Z)/14:1(9Z)/20:5(5Z,8Z,11Z,14Z,17Z)) TG(20:3n6/14:1(9Z)/20:5(5Z,8Z,11Z,14Z,17Z)) C57H92O6 873.357 872.689390682 (2S)-3-[(8Z,11Z,14Z)-icosa-8,11,14-trienoyloxy]-2-[(9Z)-tetradec-9-enoyloxy]propyl (5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoate (2S)-3-[(8Z,11Z,14Z)-icosa-8,11,14-trienoyloxy]-2-[(9Z)-tetradec-9-enoyloxy]propyl (5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoate [H][C@](COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCC InChI=1S/C57H92O6/c1-4-7-10-13-16-19-22-24-26-28-30-32-35-37-40-43-46-49-55(58)61-52-54(63-57(60)51-48-45-42-39-34-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-36-33-31-29-27-25-23-20-17-14-11-8-5-2/h7,10,15-20,24-27,30-33,37,40,54H,4-6,8-9,11-14,21-23,28-29,34-36,38-39,41-53H2,1-3H3/b10-7-,18-15-,19-16-,20-17-,26-24-,27-25-,32-30-,33-31-,40-37-/t54-/m1/s1 WVJSESMTPAKNAR-GGESORJZSA-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 10.04 ALOGPS logs -8.24 ALOGPS logp 18.33 ChemAxon pka_strongest_basic -6.6 ChemAxon iupac (2S)-3-[(8Z,11Z,14Z)-icosa-8,11,14-trienoyloxy]-2-[(9Z)-tetradec-9-enoyloxy]propyl (5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoate ChemAxon average_mass 873.357 ChemAxon mono_mass 872.689390682 ChemAxon smiles [H][C@](COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCC ChemAxon formula C57H92O6 ChemAxon inchi InChI=1S/C57H92O6/c1-4-7-10-13-16-19-22-24-26-28-30-32-35-37-40-43-46-49-55(58)61-52-54(63-57(60)51-48-45-42-39-34-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-36-33-31-29-27-25-23-20-17-14-11-8-5-2/h7,10,15-20,24-27,30-33,37,40,54H,4-6,8-9,11-14,21-23,28-29,34-36,38-39,41-53H2,1-3H3/b10-7-,18-15-,19-16-,20-17-,26-24-,27-25-,32-30-,33-31-,40-37-/t54-/m1/s1 ChemAxon inchikey WVJSESMTPAKNAR-GGESORJZSA-N ChemAxon polar_surface_area 78.9 ChemAxon refractivity 278.95 ChemAxon polarizability 109.8 ChemAxon rotatable_bond_count 47 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 231878 Specdb::MsMs 594607 Specdb::MsMs 594608 Specdb::MsMs 594609 Specdb::MsMs 934417 Specdb::MsMs 934418 Specdb::MsMs 934419 Specdb::MsMs 2404217 Specdb::MsMs 2404218 Specdb::MsMs 2404219 Specdb::MsMs 2470815 Specdb::MsMs 2470816 Specdb::MsMs 2470817 Specdb::MsMs 2534418 Specdb::MsMs 2534419 Specdb::MsMs 2534420 Specdb::MsMs 2780122 Specdb::MsMs 2780123 Specdb::MsMs 2780124 Specdb::MsMs 2900604 Specdb::MsMs 2900605 Specdb::MsMs 2900606 131764383