1.0 2020-03-26 04:00:05 UTC 2020-04-22 19:37:55 UTC BMDB0102730 TG(16:1(9Z)/18:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z)) 1-(9Z-Hexadecenoyl)-2-(9Z-octadecenoyl)-3-(4Z,7Z,10Z,13Z,16Z-docosapentaenoyl)-glycerol 1-Palmitoleoyl-2-oleoyl-3-osbondoyl-glycerol TAG(16:1/18:1/22:5) TAG(56:7) TG(16:1/18:1/22:5) TG(56:7) Tracylglycerol(16:1/18:1/22:5) Tracylglycerol(56:7) Triacylglycerol Triglyceride TG(16:1(9Z)/18:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z)) C59H100O6 905.443 904.75199094 (2S)-3-[(9Z)-hexadec-9-enoyloxy]-2-[(9Z)-octadec-9-enoyloxy]propyl (4Z,7Z,10Z,13Z,16Z)-docosa-4,7,10,13,16-pentaenoate (2S)-3-[(9Z)-hexadec-9-enoyloxy]-2-[(9Z)-octadec-9-enoyloxy]propyl (4Z,7Z,10Z,13Z,16Z)-docosa-4,7,10,13,16-pentaenoate [H][C@](COC(=O)CCCCCCC\C=C/CCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC InChI=1S/C59H100O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-34-37-40-43-46-49-52-58(61)64-55-56(54-63-57(60)51-48-45-42-39-36-33-24-21-18-15-12-9-6-3)65-59(62)53-50-47-44-41-38-35-31-26-23-20-17-14-11-8-5-2/h16,19,21,24-27,29-31,34,37,43,46,56H,4-15,17-18,20,22-23,28,32-33,35-36,38-42,44-45,47-55H2,1-3H3/b19-16-,24-21-,27-25-,30-29-,31-26-,37-34-,46-43-/t56-/m0/s1 DBKFELGDSYHFAN-FBJLGMMUSA-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 10.71 ALOGPS logs -8.17 ALOGPS logp 19.95 ChemAxon pka_strongest_basic -6.6 ChemAxon iupac (2S)-3-[(9Z)-hexadec-9-enoyloxy]-2-[(9Z)-octadec-9-enoyloxy]propyl (4Z,7Z,10Z,13Z,16Z)-docosa-4,7,10,13,16-pentaenoate ChemAxon average_mass 905.443 ChemAxon mono_mass 904.75199094 ChemAxon smiles [H][C@](COC(=O)CCCCCCC\C=C/CCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC ChemAxon formula C59H100O6 ChemAxon inchi InChI=1S/C59H100O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-34-37-40-43-46-49-52-58(61)64-55-56(54-63-57(60)51-48-45-42-39-36-33-24-21-18-15-12-9-6-3)65-59(62)53-50-47-44-41-38-35-31-26-23-20-17-14-11-8-5-2/h16,19,21,24-27,29-31,34,37,43,46,56H,4-15,17-18,20,22-23,28,32-33,35-36,38-42,44-45,47-55H2,1-3H3/b19-16-,24-21-,27-25-,30-29-,31-26-,37-34-,46-43-/t56-/m0/s1 ChemAxon inchikey DBKFELGDSYHFAN-FBJLGMMUSA-N ChemAxon polar_surface_area 78.9 ChemAxon refractivity 285.91 ChemAxon polarizability 115.76 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 240302 Specdb::MsMs 637582 Specdb::MsMs 637583 Specdb::MsMs 637584 Specdb::MsMs 951778 Specdb::MsMs 951779 Specdb::MsMs 951780 Specdb::MsMs 2426872 Specdb::MsMs 2426873 Specdb::MsMs 2426874 Specdb::MsMs 2729113 Specdb::MsMs 2729114 Specdb::MsMs 2729115 Specdb::MsMs 2818176 Specdb::MsMs 2818177 Specdb::MsMs 2818178 Specdb::MsMs 2849761 Specdb::MsMs 2849762 Specdb::MsMs 2849763 Specdb::MsMs 2980115 Specdb::MsMs 2980116 Specdb::MsMs 2980117 131759465