1.0 2016-10-03 18:20:22 UTC 2020-05-11 19:18:19 UTC BMDB0011540 BMDB11540 MG(0:0/18:3(9Z,12Z,15Z)/0:0) 2-(9Z,12Z,15Z)-Octadecatrienoyl-sn-glycerol 2-Monolinolenin 2-Monolinolenoylglycerol Glycerol-2-linoleneate MG (0:0/18:3(N-3)/0:0) Glycerol-2-linoleneic acid 1-Monoacylglyceride 1-Monoacylglycerol 2-(9Z,12Z,15Z-Octadeatrienoyl)-rac-glycerol 2-a-Linolenoyl-glycerol 2-alpha-Linolenoyl-glycerol b-Monoacylglycerol beta-Monoacylglycerol MAG(0:0/18:3) MAG(0:0/18:3n3) MAG(0:0/18:3W3) MAG(18:3) MG(0:0/18:3) MG(0:0/18:3n3) MG(0:0/18:3W3) MG(18:3) C21H36O4 352.5081 352.26135964 1,3-dihydroxypropan-2-yl (9Z,12Z,15Z)-octadeca-9,12,15-trienoate 1,3-dihydroxypropan-2-yl (9Z,12Z,15Z)-octadeca-9,12,15-trienoate 55268-58-1 [H]C(CO)(CO)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC InChI=1S/C21H36O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(24)25-20(18-22)19-23/h3-4,6-7,9-10,20,22-23H,2,5,8,11-19H2,1H3/b4-3-,7-6-,10-9- ZCCLDKGWJIREQF-PDBXOOCHSA-N belongs to the class of organic compounds known as lineolic acids and derivatives. These are derivatives of lineolic acid. Lineolic acid is a polyunsaturated omega-6 18 carbon long fatty acid, with two CC double bonds at the 9- and 12-positions. Organic compounds Lipids and lipid-like molecules Fatty Acyls Lineolic acids and derivatives Lineolic acids and derivatives 2-monoacylglycerols Carbonyl compounds Carboxylic acid esters Fatty acid esters Hydrocarbon derivatives Monocarboxylic acids and derivatives Organic oxides Primary alcohols 2-acyl-sn-glycerol Alcohol Aliphatic acyclic compound Carbonyl group Carboxylic acid derivative Carboxylic acid ester Fatty acid ester Glycerolipid Hydrocarbon derivative Monoacylglycerol Monocarboxylic acid or derivatives Monoradylglycerol Octadecanoid Organic oxide Organic oxygen compound Organooxygen compound Primary alcohol Aliphatic acyclic compounds 2-monoglyceride Solid logp 5.13 ALOGPS logs -4.88 ALOGPS logp 4.89 ChemAxon pka_strongest_acidic 14.28 ChemAxon pka_strongest_basic -3 ChemAxon iupac 1,3-dihydroxypropan-2-yl (9Z,12Z,15Z)-octadeca-9,12,15-trienoate ChemAxon average_mass 352.5081 ChemAxon mono_mass 352.26135964 ChemAxon smiles [H]C(CO)(CO)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC ChemAxon formula C21H36O4 ChemAxon inchi InChI=1S/C21H36O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(24)25-20(18-22)19-23/h3-4,6-7,9-10,20,22-23H,2,5,8,11-19H2,1H3/b4-3-,7-6-,10-9- ChemAxon inchikey ZCCLDKGWJIREQF-PDBXOOCHSA-N ChemAxon polar_surface_area 66.76 ChemAxon refractivity 106.66 ChemAxon polarizability 42.6 ChemAxon rotatable_bond_count 17 ChemAxon acceptor_count 3 ChemAxon donor_count 2 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon number_of_rings 0 ChemAxon bioavailability 1 ChemAxon rule_of_five Yes ChemAxon ghose_filter Yes ChemAxon veber_rule Yes ChemAxon mddr_like_rule Yes ChemAxon Specdb::CMs 39665 Specdb::CMs 170574 Specdb::MsMs 592198 Specdb::MsMs 592199 Specdb::MsMs 592200 Specdb::MsMs 2263732 Specdb::MsMs 2263733 Specdb::MsMs 2263734 Specdb::MsMs 2426851 Specdb::MsMs 2426852 Specdb::MsMs 2426853 Specdb::MsMs 2888779 Specdb::MsMs 2888780 Specdb::MsMs 2888781 Specdb::MsMs 3074571 Specdb::MsMs 3074572 Specdb::MsMs 3074573 All Tissues Wishart DS, Feunang YD, Marcu A, Guo AC, Liang K, Vazquez-Fresno R, Sajed T, Johnson D, Li C, Karu N, Sayeeda Z, Lo E, Assempour N, Berjanskii M, Singhal S, Arndt D, Liang Y, Badran H, Grant J, Serra-Cayuela A, Liu Y, Mandal R, Neveu V, Pon A, Knox C, Wilson M, Manach C, Scalbert A: HMDB 4.0: the human metabolome database for 2018. Nucleic Acids Res. 2018 Jan 4;46(D1):D608-D617. doi: 10.1093/nar/gkx1089. 29140435 9849475 FDB028254 11674746 75474