1.0 2020-03-26 12:07:47 UTC 2020-04-22 20:16:03 UTC BMDB0108734 TG(22:5(4Z,7Z,10Z,13Z,16Z)/18:3(6Z,9Z,12Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) 1-(4Z,7Z,10Z,13Z,16Z-Docosapentaenoyl)-2-(6Z,9Z,12Z-octadecatrienoyl)-3-(4Z,7Z,10Z,13Z,16Z,19Z-docosahexaenoyl)-glycerol 1-Osbondoyl-2-g-linolenoyl-3-docosahexaenoyl-glycerol TAG(22:5/18:3/22:6) TAG(62:14) TG(22:5/18:3/22:6) TG(62:14) Tracylglycerol(22:5/18:3/22:6) Tracylglycerol(62:14) Triacylglycerol Triglyceride TG(22:5(4Z,7Z,10Z,13Z,16Z)/18:3(6Z,9Z,12Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) C65H98O6 975.493 974.736340876 (2S)-3-[(4Z,7Z,10Z,13Z,16Z)-docosa-4,7,10,13,16-pentaenoyloxy]-2-[(6Z,9Z,12Z)-octadeca-6,9,12-trienoyloxy]propyl (4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoate (2S)-3-[(4Z,7Z,10Z,13Z,16Z)-docosa-4,7,10,13,16-pentaenoyloxy]-2-[(6Z,9Z,12Z)-octadeca-6,9,12-trienoyloxy]propyl (4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoate [H][C@](COC(=O)CC\C=C/C\C=C/C\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/C\C=C/CC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC InChI=1S/C65H98O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-39-42-45-48-51-54-57-63(66)69-60-62(71-65(68)59-56-53-50-47-44-41-36-27-24-21-18-15-12-9-6-3)61-70-64(67)58-55-52-49-46-43-40-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h7,10,16-21,25-29,32-36,39-40,42-44,47-49,51-52,62H,4-6,8-9,11-15,22-24,30-31,37-38,41,45-46,50,53-61H2,1-3H3/b10-7-,19-16-,20-17-,21-18-,28-25-,29-26-,34-32-,35-33-,36-27-,42-39-,43-40-,47-44-,51-48-,52-49-/t62-/m1/s1 BTWXUMBXWXULHV-PRPNHAAKSA-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 9.35 ALOGPS logs -8.03 ALOGPS logp 20.08 ChemAxon pka_strongest_basic -6.6 ChemAxon iupac (2S)-3-[(4Z,7Z,10Z,13Z,16Z)-docosa-4,7,10,13,16-pentaenoyloxy]-2-[(6Z,9Z,12Z)-octadeca-6,9,12-trienoyloxy]propyl (4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoate ChemAxon average_mass 975.493 ChemAxon mono_mass 974.736340876 ChemAxon smiles [H][C@](COC(=O)CC\C=C/C\C=C/C\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/C\C=C/CC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC ChemAxon formula C65H98O6 ChemAxon inchi InChI=1S/C65H98O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-39-42-45-48-51-54-57-63(66)69-60-62(71-65(68)59-56-53-50-47-44-41-36-27-24-21-18-15-12-9-6-3)61-70-64(67)58-55-52-49-46-43-40-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h7,10,16-21,25-29,32-36,39-40,42-44,47-49,51-52,62H,4-6,8-9,11-15,22-24,30-31,37-38,41,45-46,50,53-61H2,1-3H3/b10-7-,19-16-,20-17-,21-18-,28-25-,29-26-,34-32-,35-33-,36-27-,42-39-,43-40-,47-44-,51-48-,52-49-/t62-/m1/s1 ChemAxon inchikey BTWXUMBXWXULHV-PRPNHAAKSA-N ChemAxon polar_surface_area 78.9 ChemAxon refractivity 321.34 ChemAxon polarizability 119.31 ChemAxon rotatable_bond_count 50 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 595897 Specdb::MsMs 595898 Specdb::MsMs 595899 Specdb::MsMs 934882 Specdb::MsMs 934883 Specdb::MsMs 934884 Specdb::MsMs 2392687 Specdb::MsMs 2392688 Specdb::MsMs 2392689 Specdb::MsMs 2570315 Specdb::MsMs 2570316 Specdb::MsMs 2570317 Specdb::MsMs 2597545 Specdb::MsMs 2597546 Specdb::MsMs 2597547 Specdb::MsMs 2702556 Specdb::MsMs 2702557 Specdb::MsMs 2702558 Specdb::MsMs 2893190 Specdb::MsMs 2893191 Specdb::MsMs 2893192 131765587