1.0 2020-03-26 07:05:22 UTC 2020-04-22 19:51:22 UTC BMDB0104852 TG(20:3(5Z,8Z,11Z)/16:1(9Z)/20:3n6) 1-(5Z,8Z,11Z-Eicosatrienoyl)-2-(9Z-hexadecenoyl)-3-(8Z,11Z,14Z-eicosatrienoyl)-glycerol 1-Meadoyl-2-palmitoleoyl-3-homo-g-linolenoyl-glycerol TAG(20:3/16:1/20:3) TAG(20:3/16:1/20:3n6) TAG(20:3/16:1/20:3W6) TAG(56:7) TG(20:3/16:1/20:3) TG(20:3/16:1/20:3n6) TG(20:3/16:1/20:3W6) TG(56:7) Tracylglycerol(20:3/16:1/20:3) Tracylglycerol(20:3/16:1/20:3n6) Tracylglycerol(20:3/16:1/20:3W6) Tracylglycerol(56:7) Triacylglycerol Triglyceride 1-Meadoyl-2-palmitoleoyl-3-dihomo-gamma-linolenoyl-glycerol TG(20:3n9/16:1n7/20:3n6) TG(20:3W9/16:1W7/20:3W6) Tag(20:3(5Z,8Z,11Z)/16:1(9Z)/20:3(8Z,11Z,14Z)) Tag(20:3n9/16:1n7/20:3n6) Tag(20:3W9/16:1W7/20:3W6) Triacylglycerol(20:3(5Z,8Z,11Z)/16:1(9Z)/20:3(8Z,11Z,14Z)) Triacylglycerol(20:3/16:1/20:3) Triacylglycerol(20:3n9/16:1n7/20:3n6) Triacylglycerol(20:3W9/16:1W7/20:3W6) Triacylglycerol(56:7) TG(20:3(5Z,8Z,11Z)/16:1(9Z)/20:3(8Z,11Z,14Z)) TG(20:3(5Z,8Z,11Z)/16:1(9Z)/20:3n6) C59H100O6 905.443 904.75199094 (2R)-2-[(9Z)-hexadec-9-enoyloxy]-3-[(8Z,11Z,14Z)-icosa-8,11,14-trienoyloxy]propyl (5Z,8Z,11Z)-icosa-5,8,11-trienoate (2R)-2-[(9Z)-hexadec-9-enoyloxy]-3-[(8Z,11Z,14Z)-icosa-8,11,14-trienoyloxy]propyl (5Z,8Z,11Z)-icosa-5,8,11-trienoate [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/CCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCC InChI=1S/C59H100O6/c1-4-7-10-13-16-19-22-25-27-29-31-34-36-39-42-45-48-51-57(60)63-54-56(65-59(62)53-50-47-44-41-38-33-24-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-37-35-32-30-28-26-23-20-17-14-11-8-5-2/h16,19,21,24-28,31-32,34-35,40,43,56H,4-15,17-18,20,22-23,29-30,33,36-39,41-42,44-55H2,1-3H3/b19-16-,24-21-,27-25-,28-26-,34-31-,35-32-,43-40-/t56-/m1/s1 JOWKTXKEVIZYAG-OTQWXBEPSA-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 10.68 ALOGPS logs -8.17 ALOGPS logp 19.95 ChemAxon pka_strongest_basic -6.6 ChemAxon iupac (2R)-2-[(9Z)-hexadec-9-enoyloxy]-3-[(8Z,11Z,14Z)-icosa-8,11,14-trienoyloxy]propyl (5Z,8Z,11Z)-icosa-5,8,11-trienoate ChemAxon average_mass 905.443 ChemAxon mono_mass 904.75199094 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/CCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCC ChemAxon formula C59H100O6 ChemAxon inchi InChI=1S/C59H100O6/c1-4-7-10-13-16-19-22-25-27-29-31-34-36-39-42-45-48-51-57(60)63-54-56(65-59(62)53-50-47-44-41-38-33-24-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-37-35-32-30-28-26-23-20-17-14-11-8-5-2/h16,19,21,24-28,31-32,34-35,40,43,56H,4-15,17-18,20,22-23,29-30,33,36-39,41-42,44-55H2,1-3H3/b19-16-,24-21-,27-25-,28-26-,34-31-,35-32-,43-40-/t56-/m1/s1 ChemAxon inchikey JOWKTXKEVIZYAG-OTQWXBEPSA-N ChemAxon polar_surface_area 78.9 ChemAxon refractivity 285.91 ChemAxon polarizability 116.14 ChemAxon rotatable_bond_count 51 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 215989 Specdb::MsMs 571009 Specdb::MsMs 571010 Specdb::MsMs 571011 Specdb::MsMs 924865 Specdb::MsMs 924866 Specdb::MsMs 924867 Specdb::MsMs 2299638 Specdb::MsMs 2299639 Specdb::MsMs 2299640 Specdb::MsMs 2480074 Specdb::MsMs 2480075 Specdb::MsMs 2480076 Specdb::MsMs 2638498 Specdb::MsMs 2638499 Specdb::MsMs 2638500 Specdb::MsMs 2794184 Specdb::MsMs 2794185 Specdb::MsMs 2794186 Specdb::MsMs 2851792 Specdb::MsMs 2851793 Specdb::MsMs 2851794 131761750