1.0 2020-03-26 06:01:04 UTC 2020-04-22 19:46:32 UTC BMDB0104091 TG(18:1(9Z)/18:4(6Z,9Z,12Z,15Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) 1-(9Z-Octadecenoyl)-2-(6Z,9Z,12Z,15Z-octadecatetraenoyl)-3-(4Z,7Z,10Z,13Z,16Z,19Z-docosahexaenoyl)-glycerol 1-Oleoyl-2-stearidonoyl-3-docosahexaenoyl-glycerol TAG(18:1/18:4/22:6) TAG(58:11) TG(18:1/18:4/22:6) TG(58:11) Tracylglycerol(18:1/18:4/22:6) Tracylglycerol(58:11) Triacylglycerol Triglyceride TG(18:1(9Z)/18:4(6Z,9Z,12Z,15Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) C61H96O6 925.433 924.720690811 (2S)-3-[(9Z)-octadec-9-enoyloxy]-2-[(6Z,9Z,12Z,15Z)-octadeca-6,9,12,15-tetraenoyloxy]propyl (4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoate (2S)-3-[(9Z)-octadec-9-enoyloxy]-2-[(6Z,9Z,12Z,15Z)-octadeca-6,9,12,15-tetraenoyloxy]propyl (4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoate [H][C@](COC(=O)CCCCCCC\C=C/CCCCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC InChI=1S/C61H96O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-36-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-37-33-27-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2/h7,9-10,12,16,18-19,21,25-28,30-33,36,39-40,43,45,48,58H,4-6,8,11,13-15,17,20,22-24,29,34-35,37-38,41-42,44,46-47,49-57H2,1-3H3/b10-7-,12-9-,19-16-,21-18-,28-25-,31-30-,32-26-,33-27-,39-36-,43-40-,48-45-/t58-/m0/s1 KFHZZVYZUWJKQG-AYFDDDKPSA-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 9.86 ALOGPS logs -8.12 ALOGPS logp 19.39 ChemAxon pka_strongest_basic -6.6 ChemAxon iupac (2S)-3-[(9Z)-octadec-9-enoyloxy]-2-[(6Z,9Z,12Z,15Z)-octadeca-6,9,12,15-tetraenoyloxy]propyl (4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoate ChemAxon average_mass 925.433 ChemAxon mono_mass 924.720690811 ChemAxon smiles [H][C@](COC(=O)CCCCCCC\C=C/CCCCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC ChemAxon formula C61H96O6 ChemAxon inchi InChI=1S/C61H96O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-36-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-37-33-27-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2/h7,9-10,12,16,18-19,21,25-28,30-33,36,39-40,43,45,48,58H,4-6,8,11,13-15,17,20,22-24,29,34-35,37-38,41-42,44,46-47,49-57H2,1-3H3/b10-7-,12-9-,19-16-,21-18-,28-25-,31-30-,32-26-,33-27-,39-36-,43-40-,48-45-/t58-/m0/s1 ChemAxon inchikey KFHZZVYZUWJKQG-AYFDDDKPSA-N ChemAxon polar_surface_area 78.9 ChemAxon refractivity 299.58 ChemAxon polarizability 115.14 ChemAxon rotatable_bond_count 49 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 575311 Specdb::MsMs 575312 Specdb::MsMs 575313 Specdb::MsMs 2289018 Specdb::MsMs 2289019 Specdb::MsMs 2289020 Specdb::MsMs 2358567 Specdb::MsMs 2358568 Specdb::MsMs 2358569 Specdb::MsMs 2450560 Specdb::MsMs 2450561 Specdb::MsMs 2450562 Specdb::MsMs 2603099 Specdb::MsMs 2603100 Specdb::MsMs 2603101 Specdb::MsMs 3040846 Specdb::MsMs 3040847 Specdb::MsMs 3040848 131760952