1.0 2016-09-30 23:17:42 UTC 2020-04-22 15:16:04 UTC BMDB0005459 BMDB05459 TG(18:1(9Z)/18:2(9Z,12Z)/20:0)[iso6] Triacylglycerol TAG(56:3) Tracylglycerol(56:3) Triglyceride Tracylglycerol(20:0/18:2/18:1) TAG(20:0/18:2/18:1) 1-arachidonyl-2-linoleoyl-3-oleoyl-glycerol TG(20:0/18:2/18:1) TG(56:3) 1-eicosanoyl-2-(9Z,12Z-octadecadienoyl)-3-(9Z-octadecenoyl)-glycerol TG(20:0/18:2(9Z,12Z)/18:1(9Z)) 1-Oleoyl-2-linoleoyl-3-arachidonyl-glycerol TAG(18:1/18:2/20:0) TAG(18:1n9/18:2n6/20:0) TAG(18:1W9/18:2W6/20:0) TG(18:1/18:2/20:0) TG(18:1n9/18:2n6/20:0) TG(18:1W9/18:2W6/20:0) Tracylglycerol(18:1/18:2/20:0) Tracylglycerol(18:1n9/18:2n6/20:0) Tracylglycerol(18:1W9/18:2W6/20:0) C59H108O6 913.4852 912.814591188 (2S)-3-[(9Z)-octadec-9-enoyloxy]-2-[(9Z,12Z)-octadeca-9,12-dienoyloxy]propyl icosanoate (2S)-3-[(9Z)-octadec-9-enoyloxy]-2-[(9Z,12Z)-octadeca-9,12-dienoyloxy]propyl icosanoate [H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC InChI=1S/C59H108O6/c1-4-7-10-13-16-19-22-25-28-29-32-34-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-35-31-27-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2/h18,21,26-27,30-31,56H,4-17,19-20,22-25,28-29,32-55H2,1-3H3/b21-18-,30-26-,31-27-/t56-/m1/s1 ODTSMODPVGNVHB-BNWGWPBMSA-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 Triacylglycerols Solid logp 10.82 ALOGPS logs -8.15 ALOGPS logp 21.39 ChemAxon pka_strongest_basic -6.6 ChemAxon iupac (2S)-3-[(9Z)-octadec-9-enoyloxy]-2-[(9Z,12Z)-octadeca-9,12-dienoyloxy]propyl icosanoate ChemAxon average_mass 913.4852 ChemAxon mono_mass 912.814591188 ChemAxon smiles [H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC ChemAxon formula C59H108O6 ChemAxon inchi InChI=1S/C59H108O6/c1-4-7-10-13-16-19-22-25-28-29-32-34-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-35-31-27-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2/h18,21,26-27,30-31,56H,4-17,19-20,22-25,28-29,32-55H2,1-3H3/b21-18-,30-26-,31-27-/t56-/m1/s1 ChemAxon inchikey ODTSMODPVGNVHB-BNWGWPBMSA-N ChemAxon polar_surface_area 78.9 ChemAxon refractivity 281.45 ChemAxon polarizability 121.89 ChemAxon rotatable_bond_count 55 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 239522 Specdb::MsMs 574729 Specdb::MsMs 574730 Specdb::MsMs 574731 Specdb::MsMs 1469636 Specdb::MsMs 1469637 Specdb::MsMs 1469638 Specdb::MsMs 2617913 Specdb::MsMs 2617914 Specdb::MsMs 2617915 Specdb::MsMs 2723424 Specdb::MsMs 2723425 Specdb::MsMs 2723426 Specdb::MsMs 2844551 Specdb::MsMs 2844552 Specdb::MsMs 2844553 Specdb::MsMs 3053924 Specdb::MsMs 3053925 Specdb::MsMs 3053926 Specdb::MsMs 3117170 Specdb::MsMs 3117171 Specdb::MsMs 3117172 25240376 C00422 7823391 FDB094756 Triacylglycerols