1.0 2020-03-26 09:41:23 UTC 2020-04-22 20:04:04 UTC BMDB0106843 TG(18:3(6Z,9Z,12Z)/22:2(13Z,16Z)/18:4(6Z,9Z,12Z,15Z)) 1-(6Z,9Z,12Z-Octadecatrienoyl)-2-(13Z,16Z-docosadienoyl)-3-(6Z,9Z,12Z,15Z-octadecatetraenoyl)-glycerol 1-g-Linolenoyl-2-docosadienoyl-3-stearidonoyl-glycerol TAG(18:3/22:2/18:4) TAG(58:9) TG(18:3/22:2/18:4) TG(58:9) Tracylglycerol(18:3/22:2/18:4) Tracylglycerol(58:9) Triacylglycerol Triglyceride TG(18:3(6Z,9Z,12Z)/22:2(13Z,16Z)/18:4(6Z,9Z,12Z,15Z)) C61H100O6 929.465 928.75199094 (2S)-1-[(6Z,9Z,12Z,15Z)-octadeca-6,9,12,15-tetraenoyloxy]-3-[(6Z,9Z,12Z)-octadeca-6,9,12-trienoyloxy]propan-2-yl (13Z,16Z)-docosa-13,16-dienoate (2S)-1-[(6Z,9Z,12Z,15Z)-octadeca-6,9,12,15-tetraenoyloxy]-3-[(6Z,9Z,12Z)-octadeca-6,9,12-trienoyloxy]propan-2-yl (13Z,16Z)-docosa-13,16-dienoate [H][C@](COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC InChI=1S/C61H100O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-37-40-43-46-49-52-55-61(64)67-58(56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2)57-66-60(63)54-51-48-45-42-39-36-33-27-24-21-18-15-12-9-6-3/h8,11,16-21,25-28,32-33,38-39,41-42,58H,4-7,9-10,12-15,22-24,29-31,34-37,40,43-57H2,1-3H3/b11-8-,19-16-,20-17-,21-18-,28-25-,32-26-,33-27-,41-38-,42-39-/t58-/m1/s1 WJAKAFFQJAQTTN-ODESUEJCSA-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 10.40 ALOGPS logs -8.30 ALOGPS logp 20.11 ChemAxon pka_strongest_basic -6.6 ChemAxon iupac (2S)-1-[(6Z,9Z,12Z,15Z)-octadeca-6,9,12,15-tetraenoyloxy]-3-[(6Z,9Z,12Z)-octadeca-6,9,12-trienoyloxy]propan-2-yl (13Z,16Z)-docosa-13,16-dienoate ChemAxon average_mass 929.465 ChemAxon mono_mass 928.75199094 ChemAxon smiles [H][C@](COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC ChemAxon formula C61H100O6 ChemAxon inchi InChI=1S/C61H100O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-37-40-43-46-49-52-55-61(64)67-58(56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2)57-66-60(63)54-51-48-45-42-39-36-33-27-24-21-18-15-12-9-6-3/h8,11,16-21,25-28,32-33,38-39,41-42,58H,4-7,9-10,12-15,22-24,29-31,34-37,40,43-57H2,1-3H3/b11-8-,19-16-,20-17-,21-18-,28-25-,32-26-,33-27-,41-38-,42-39-/t58-/m1/s1 ChemAxon inchikey WJAKAFFQJAQTTN-ODESUEJCSA-N ChemAxon polar_surface_area 78.9 ChemAxon refractivity 297.35 ChemAxon polarizability 117.99 ChemAxon rotatable_bond_count 51 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 215291 Specdb::MsMs 646078 Specdb::MsMs 646079 Specdb::MsMs 646080 Specdb::MsMs 955204 Specdb::MsMs 955205 Specdb::MsMs 955206 Specdb::MsMs 2407757 Specdb::MsMs 2407758 Specdb::MsMs 2407759 Specdb::MsMs 2531301 Specdb::MsMs 2531302 Specdb::MsMs 2531303 Specdb::MsMs 2535626 Specdb::MsMs 2535627 Specdb::MsMs 2535628 Specdb::MsMs 2703323 Specdb::MsMs 2703324 Specdb::MsMs 2703325 Specdb::MsMs 2741914 Specdb::MsMs 2741915 Specdb::MsMs 2741916 131763783