1.0 2020-03-26 03:56:58 UTC 2020-04-22 19:37:42 UTC BMDB0102694 TG(16:1(9Z)/16:1(9Z)/22:2(13Z,16Z)) 1-(9Z-Hexadecenoyl)-2-(9Z-hexadecenoyl)-3-(13Z,16Z-docosadienoyl)-glycerol 1-Palmitoleoyl-2-palmitoleoyl-3-docosadienoyl-glycerol TAG(16:1/16:1/22:2) TAG(54:4) TG(16:1/16:1/22:2) TG(54:4) Tracylglycerol(16:1/16:1/22:2) Tracylglycerol(54:4) Triacylglycerol Triglyceride TG(16:1(9Z)/16:1(9Z)/22:2(13Z,16Z)) C57H102O6 883.437 882.767641004 (2R)-2,3-bis[(9Z)-hexadec-9-enoyloxy]propyl (13Z,16Z)-docosa-13,16-dienoate (2R)-2,3-bis[(9Z)-hexadec-9-enoyloxy]propyl (13Z,16Z)-docosa-13,16-dienoate [H][C@@](COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/CCCCCC InChI=1S/C57H102O6/c1-4-7-10-13-16-19-22-25-26-27-28-29-30-33-35-38-41-44-47-50-56(59)62-53-54(63-57(60)51-48-45-42-39-36-32-24-21-18-15-12-9-6-3)52-61-55(58)49-46-43-40-37-34-31-23-20-17-14-11-8-5-2/h16,19-21,23-26,54H,4-15,17-18,22,27-53H2,1-3H3/b19-16-,23-20-,24-21-,26-25-/t54-/m0/s1 YUBPSQNVVBRHKY-NYDKXWMXSA-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 10.78 ALOGPS logs -8.14 ALOGPS logp 20.14 ChemAxon pka_strongest_basic -6.6 ChemAxon iupac (2R)-2,3-bis[(9Z)-hexadec-9-enoyloxy]propyl (13Z,16Z)-docosa-13,16-dienoate ChemAxon average_mass 883.437 ChemAxon mono_mass 882.767641004 ChemAxon smiles [H][C@@](COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/CCCCCC ChemAxon formula C57H102O6 ChemAxon inchi InChI=1S/C57H102O6/c1-4-7-10-13-16-19-22-25-26-27-28-29-30-33-35-38-41-44-47-50-56(59)62-53-54(63-57(60)51-48-45-42-39-36-32-24-21-18-15-12-9-6-3)52-61-55(58)49-46-43-40-37-34-31-23-20-17-14-11-8-5-2/h16,19-21,23-26,54H,4-15,17-18,22,27-53H2,1-3H3/b19-16-,23-20-,24-21-,26-25-/t54-/m0/s1 ChemAxon inchikey YUBPSQNVVBRHKY-NYDKXWMXSA-N ChemAxon polar_surface_area 78.9 ChemAxon refractivity 273.36 ChemAxon polarizability 115.82 ChemAxon rotatable_bond_count 52 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 204903 Specdb::MsMs 618592 Specdb::MsMs 618593 Specdb::MsMs 618594 Specdb::MsMs 944035 Specdb::MsMs 944036 Specdb::MsMs 944037 Specdb::MsMs 2489271 Specdb::MsMs 2489272 Specdb::MsMs 2489273 Specdb::MsMs 2704844 Specdb::MsMs 2704845 Specdb::MsMs 2704846 Specdb::MsMs 2801488 Specdb::MsMs 2801489 Specdb::MsMs 2801490 Specdb::MsMs 2811638 Specdb::MsMs 2811639 Specdb::MsMs 2811640 Specdb::MsMs 2877602 Specdb::MsMs 2877603 Specdb::MsMs 2877604 131759423