1.0 2020-03-26 10:28:24 UTC 2020-04-22 20:07:59 UTC BMDB0107461 TG(20:3n6/16:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z)) 1-(8Z,11Z,14Z-Eicosatrienoyl)-2-(9Z-hexadecenoyl)-3-(4Z,7Z,10Z,13Z,16Z-docosapentaenoyl)-glycerol 1-Homo-g-linolenoyl-2-palmitoleoyl-3-osbondoyl-glycerol TAG(20:3/16:1/22:5) TAG(20:3n6/16:1/22:5) TAG(20:3W6/16:1/22:5) TAG(58:9) TG(20:3/16:1/22:5) TG(20:3n6/16:1/22:5) TG(20:3W6/16:1/22:5) TG(58:9) Tracylglycerol(20:3/16:1/22:5) Tracylglycerol(20:3n6/16:1/22:5) Tracylglycerol(20:3W6/16:1/22:5) Tracylglycerol(58:9) Triacylglycerol Triglyceride 1-Dihomo-gamma-linolenoyl-2-palmitoleoyl-3-osbondoyl-glycerol TG(20:3n6/16:1n7/22:5n6) TG(20:3W6/16:1W7/22:5W6) Tag(20:3(8Z,11Z,14Z)/16:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z)) Tag(20:3n6/16:1n7/22:5n6) Tag(20:3W6/16:1W7/22:5W6) Triacylglycerol(20:3(8Z,11Z,14Z)/16:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z)) Triacylglycerol(20:3/16:1/22:5) Triacylglycerol(20:3n6/16:1n7/22:5n6) Triacylglycerol(20:3W6/16:1W7/22:5W6) Triacylglycerol(58:9) TG(20:3(8Z,11Z,14Z)/16:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z)) TG(20:3n6/16:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z)) C61H100O6 929.465 928.75199094 (2S)-2-[(9Z)-hexadec-9-enoyloxy]-3-[(8Z,11Z,14Z)-icosa-8,11,14-trienoyloxy]propyl (4Z,7Z,10Z,13Z,16Z)-docosa-4,7,10,13,16-pentaenoate (2S)-2-[(9Z)-hexadec-9-enoyloxy]-3-[(8Z,11Z,14Z)-icosa-8,11,14-trienoyloxy]propyl (4Z,7Z,10Z,13Z,16Z)-docosa-4,7,10,13,16-pentaenoate [H][C@](COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCC InChI=1S/C61H100O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-34-37-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-35-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-36-33-31-28-26-23-20-17-14-11-8-5-2/h16-17,19-21,24-28,30,32-33,36-37,39,45,48,58H,4-15,18,22-23,29,31,34-35,38,40-44,46-47,49-57H2,1-3H3/b19-16-,20-17-,24-21-,27-25-,28-26-,32-30-,36-33-,39-37-,48-45-/t58-/m0/s1 HUIHYKWGXDQNMB-FTNJYALLSA-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 10.43 ALOGPS logs -8.31 ALOGPS logp 20.11 ChemAxon pka_strongest_basic -6.6 ChemAxon iupac (2S)-2-[(9Z)-hexadec-9-enoyloxy]-3-[(8Z,11Z,14Z)-icosa-8,11,14-trienoyloxy]propyl (4Z,7Z,10Z,13Z,16Z)-docosa-4,7,10,13,16-pentaenoate ChemAxon average_mass 929.465 ChemAxon mono_mass 928.75199094 ChemAxon smiles [H][C@](COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCC ChemAxon formula C61H100O6 ChemAxon inchi InChI=1S/C61H100O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-34-37-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-35-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-36-33-31-28-26-23-20-17-14-11-8-5-2/h16-17,19-21,24-28,30,32-33,36-37,39,45,48,58H,4-15,18,22-23,29,31,34-35,38,40-44,46-47,49-57H2,1-3H3/b19-16-,20-17-,24-21-,27-25-,28-26-,32-30-,36-33-,39-37-,48-45-/t58-/m0/s1 ChemAxon inchikey HUIHYKWGXDQNMB-FTNJYALLSA-N ChemAxon polar_surface_area 78.9 ChemAxon refractivity 297.35 ChemAxon polarizability 117.86 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::MsMs 685189 Specdb::MsMs 685190 Specdb::MsMs 685191 Specdb::MsMs 970618 Specdb::MsMs 970619 Specdb::MsMs 970620 Specdb::MsMs 2433193 Specdb::MsMs 2433194 Specdb::MsMs 2433195 Specdb::MsMs 2502920 Specdb::MsMs 2502921 Specdb::MsMs 2502922 Specdb::MsMs 2580879 Specdb::MsMs 2580880 Specdb::MsMs 2580881 Specdb::MsMs 2622731 Specdb::MsMs 2622732 Specdb::MsMs 2622733 Specdb::MsMs 2786674 Specdb::MsMs 2786675 Specdb::MsMs 2786676 131764391