1.0 2020-03-26 12:06:32 UTC 2020-04-22 20:15:57 UTC BMDB0108718 TG(22:5(4Z,7Z,10Z,13Z,16Z)/24:1(15Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) 1-(4Z,7Z,10Z,13Z,16Z-Docosapentaenoyl)-2-(15Z-tetracosanoyl)-3-(4Z,7Z,10Z,13Z,16Z,19Z-docosahexaenoyl)-glycerol 1-Osbondoyl-2-nervonoyl-3-docosahexaenoyl-glycerol TAG(22:5/24:1/22:6) TAG(68:12) TG(22:5/24:1/22:6) TG(68:12) Tracylglycerol(22:5/24:1/22:6) Tracylglycerol(68:12) Triacylglycerol Triglyceride TG(22:5(4Z,7Z,10Z,13Z,16Z)/24:1(15Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) C71H114O6 1063.687 1062.861541391 (2S)-1-[(4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoyloxy]-3-[(4Z,7Z,10Z,13Z,16Z)-docosa-4,7,10,13,16-pentaenoyloxy]propan-2-yl (15Z)-tetracos-15-enoate (2S)-1-[(4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoyloxy]-3-[(4Z,7Z,10Z,13Z,16Z)-docosa-4,7,10,13,16-pentaenoyloxy]propan-2-yl (15Z)-tetracos-15-enoate [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)CCCCCCCCCCCCC\C=C/CCCCCCCC InChI=1S/C71H114O6/c1-4-7-10-13-16-19-22-25-28-31-34-35-38-41-44-47-50-53-56-59-62-65-71(74)77-68(66-75-69(72)63-60-57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2)67-76-70(73)64-61-58-55-52-49-46-43-40-37-33-30-27-24-21-18-15-12-9-6-3/h8,11,17-18,20-21,25-30,36-37,39-40,45-46,48-49,54-55,57-58,68H,4-7,9-10,12-16,19,22-24,31-35,38,41-44,47,50-53,56,59-67H2,1-3H3/b11-8-,20-17-,21-18-,28-25-,29-26-,30-27-,39-36-,40-37-,48-45-,49-46-,57-54-,58-55-/t68-/m1/s1 GGRXUZMBHRSKFS-UUWBQUHQSA-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 10.46 ALOGPS logs -8.31 ALOGPS logp 23.47 ChemAxon pka_strongest_basic -6.6 ChemAxon iupac (2S)-1-[(4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoyloxy]-3-[(4Z,7Z,10Z,13Z,16Z)-docosa-4,7,10,13,16-pentaenoyloxy]propan-2-yl (15Z)-tetracos-15-enoate ChemAxon average_mass 1063.687 ChemAxon mono_mass 1062.861541391 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)CCCCCCCCCCCCC\C=C/CCCCCCCC ChemAxon formula C71H114O6 ChemAxon inchi InChI=1S/C71H114O6/c1-4-7-10-13-16-19-22-25-28-31-34-35-38-41-44-47-50-53-56-59-62-65-71(74)77-68(66-75-69(72)63-60-57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2)67-76-70(73)64-61-58-55-52-49-46-43-40-37-33-30-27-24-21-18-15-12-9-6-3/h8,11,17-18,20-21,25-30,36-37,39-40,45-46,48-49,54-55,57-58,68H,4-7,9-10,12-16,19,22-24,31-35,38,41-44,47,50-53,56,59-67H2,1-3H3/b11-8-,20-17-,21-18-,28-25-,29-26-,30-27-,39-36-,40-37-,48-45-,49-46-,57-54-,58-55-/t68-/m1/s1 ChemAxon inchikey GGRXUZMBHRSKFS-UUWBQUHQSA-N ChemAxon polar_surface_area 78.9 ChemAxon refractivity 346.71 ChemAxon polarizability 134.46 ChemAxon rotatable_bond_count 58 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 215737 Specdb::MsMs 576901 Specdb::MsMs 576902 Specdb::MsMs 576903 Specdb::MsMs 927256 Specdb::MsMs 927257 Specdb::MsMs 927258 Specdb::MsMs 2423587 Specdb::MsMs 2423588 Specdb::MsMs 2423589 Specdb::MsMs 2853586 Specdb::MsMs 2853587 Specdb::MsMs 2853588 Specdb::MsMs 2917967 Specdb::MsMs 2917968 Specdb::MsMs 2917969 Specdb::MsMs 3048800 Specdb::MsMs 3048801 Specdb::MsMs 3048802 Specdb::MsMs 3118756 Specdb::MsMs 3118757 Specdb::MsMs 3118758 131765571