1.0 2020-03-26 09:35:16 UTC 2020-04-22 20:03:32 UTC BMDB0106760 TG(18:3(6Z,9Z,12Z)/24:1(15Z)/22:4(7Z,10Z,13Z,16Z)) 1-(6Z,9Z,12Z-Octadecatrienoyl)-2-(15Z-tetracosanoyl)-3-(7Z,10Z,13Z,16Z-docosatetraenoyl)-glycerol 1-g-Linolenoyl-2-nervonoyl-3-adrenoyl-glycerol TAG(18:3/24:1/22:4) TAG(64:8) TG(18:3/24:1/22:4) TG(64:8) Tracylglycerol(18:3/24:1/22:4) Tracylglycerol(64:8) Triacylglycerol Triglyceride TG(18:3(6Z,9Z,12Z)/24:1(15Z)/22:4(7Z,10Z,13Z,16Z)) C67H114O6 1015.643 1014.861541391 (2R)-1-[(7Z,10Z,13Z,16Z)-docosa-7,10,13,16-tetraenoyloxy]-3-[(6Z,9Z,12Z)-octadeca-6,9,12-trienoyloxy]propan-2-yl (15Z)-tetracos-15-enoate (2R)-1-[(7Z,10Z,13Z,16Z)-docosa-7,10,13,16-tetraenoyloxy]-3-[(6Z,9Z,12Z)-octadeca-6,9,12-trienoyloxy]propan-2-yl (15Z)-tetracos-15-enoate [H][C@@](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC InChI=1S/C67H114O6/c1-4-7-10-13-16-19-22-25-28-30-32-33-35-37-40-43-46-49-52-55-58-61-67(70)73-64(62-71-65(68)59-56-53-50-47-44-41-38-27-24-21-18-15-12-9-6-3)63-72-66(69)60-57-54-51-48-45-42-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h17-18,20-21,25-29,34,36,38,42,44-45,47,64H,4-16,19,22-24,30-33,35,37,39-41,43,46,48-63H2,1-3H3/b20-17-,21-18-,28-25-,29-26-,36-34-,38-27-,45-42-,47-44-/t64-/m0/s1 NXSPRYXGDHILKA-REAISLJHSA-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 10.85 ALOGPS logs -8.13 ALOGPS logp 23.14 ChemAxon pka_strongest_basic -6.6 ChemAxon iupac (2R)-1-[(7Z,10Z,13Z,16Z)-docosa-7,10,13,16-tetraenoyloxy]-3-[(6Z,9Z,12Z)-octadeca-6,9,12-trienoyloxy]propan-2-yl (15Z)-tetracos-15-enoate ChemAxon average_mass 1015.643 ChemAxon mono_mass 1014.861541391 ChemAxon smiles [H][C@@](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC ChemAxon formula C67H114O6 ChemAxon inchi InChI=1S/C67H114O6/c1-4-7-10-13-16-19-22-25-28-30-32-33-35-37-40-43-46-49-52-55-58-61-67(70)73-64(62-71-65(68)59-56-53-50-47-44-41-38-27-24-21-18-15-12-9-6-3)63-72-66(69)60-57-54-51-48-45-42-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h17-18,20-21,25-29,34,36,38,42,44-45,47,64H,4-16,19,22-24,30-33,35,37,39-41,43,46,48-63H2,1-3H3/b20-17-,21-18-,28-25-,29-26-,36-34-,38-27-,45-42-,47-44-/t64-/m0/s1 ChemAxon inchikey NXSPRYXGDHILKA-REAISLJHSA-N ChemAxon polar_surface_area 78.9 ChemAxon refractivity 323.84 ChemAxon polarizability 133.09 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 193812 Specdb::MsMs 681376 Specdb::MsMs 681377 Specdb::MsMs 681378 Specdb::MsMs 969139 Specdb::MsMs 969140 Specdb::MsMs 969141 Specdb::MsMs 2649369 Specdb::MsMs 2649370 Specdb::MsMs 2649371 Specdb::MsMs 2667343 Specdb::MsMs 2667344 Specdb::MsMs 2667345 Specdb::MsMs 2844107 Specdb::MsMs 2844108 Specdb::MsMs 2844109 Specdb::MsMs 2861824 Specdb::MsMs 2861825 Specdb::MsMs 2861826 Specdb::MsMs 3077439 Specdb::MsMs 3077440 Specdb::MsMs 3077441 131763697