1.0 2020-03-26 05:52:31 UTC 2020-04-22 19:45:53 UTC BMDB0103988 TG(18:1(9Z)/20:4(5Z,8Z,11Z,14Z)/18:3(6Z,9Z,12Z)) 1-(9Z-Octadecenoyl)-2-(5Z,8Z,11Z,14Z-eicosatetraenoyl)-3-(6Z,9Z,12Z-octadecatrienoyl)-glycerol 1-Oleoyl-2-arachidonoyl-3-g-linolenoyl-glycerol TAG(18:1/20:4/18:3) TAG(56:8) TG(18:1/20:4/18:3) TG(56:8) Tracylglycerol(18:1/20:4/18:3) Tracylglycerol(56:8) Triacylglycerol Triglyceride TG(18:1(9Z)/20:4(5Z,8Z,11Z,14Z)/18:3(6Z,9Z,12Z)) C59H98O6 903.427 902.736340876 (2S)-1-[(9Z)-octadec-9-enoyloxy]-3-[(6Z,9Z,12Z)-octadeca-6,9,12-trienoyloxy]propan-2-yl (5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoate (2S)-1-[(9Z)-octadec-9-enoyloxy]-3-[(6Z,9Z,12Z)-octadeca-6,9,12-trienoyloxy]propan-2-yl (5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoate [H][C@](COC(=O)CCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC InChI=1S/C59H98O6/c1-4-7-10-13-16-19-22-25-28-29-32-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2)55-64-58(61)52-49-46-43-40-37-34-31-27-24-21-18-15-12-9-6-3/h16-17,19-20,25-28,30-32,35-36,39,41,44,56H,4-15,18,21-24,29,33-34,37-38,40,42-43,45-55H2,1-3H3/b19-16-,20-17-,28-25-,30-26-,31-27-,35-32-,39-36-,44-41-/t56-/m1/s1 TZRKRFRMROEGHC-PQXGNKKQSA-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 10.52 ALOGPS logs -8.27 ALOGPS logp 19.59 ChemAxon pka_strongest_basic -6.6 ChemAxon iupac (2S)-1-[(9Z)-octadec-9-enoyloxy]-3-[(6Z,9Z,12Z)-octadeca-6,9,12-trienoyloxy]propan-2-yl (5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoate ChemAxon average_mass 903.427 ChemAxon mono_mass 902.736340876 ChemAxon smiles [H][C@](COC(=O)CCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC ChemAxon formula C59H98O6 ChemAxon inchi InChI=1S/C59H98O6/c1-4-7-10-13-16-19-22-25-28-29-32-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2)55-64-58(61)52-49-46-43-40-37-34-31-27-24-21-18-15-12-9-6-3/h16-17,19-20,25-28,30-32,35-36,39,41,44,56H,4-15,18,21-24,29,33-34,37-38,40,42-43,45-55H2,1-3H3/b19-16-,20-17-,28-25-,30-26-,31-27-,35-32-,39-36-,44-41-/t56-/m1/s1 ChemAxon inchikey TZRKRFRMROEGHC-PQXGNKKQSA-N ChemAxon polar_surface_area 78.9 ChemAxon refractivity 287.03 ChemAxon polarizability 115.89 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 591535 Specdb::MsMs 591536 Specdb::MsMs 591537 Specdb::MsMs 933208 Specdb::MsMs 933209 Specdb::MsMs 933210 Specdb::MsMs 2301201 Specdb::MsMs 2301202 Specdb::MsMs 2301203 Specdb::MsMs 2420994 Specdb::MsMs 2420995 Specdb::MsMs 2420996 Specdb::MsMs 2556186 Specdb::MsMs 2556187 Specdb::MsMs 2556188 Specdb::MsMs 2949321 Specdb::MsMs 2949322 Specdb::MsMs 2949323 Specdb::MsMs 3065099 Specdb::MsMs 3065100 Specdb::MsMs 3065101 131760843