1.02010-04-08 22:14:12 UTC2019-11-26 03:17:14 UTCFDB0192052-Oxo-4-methylenepentanedioic acidFound in peanut (Arachis hypogaea)2-Methylidene-4-oxopentanedioate2-Methylidene-4-oxopentanedioic acid4-Carboxy-2-oxo-4-pentenoate4-Carboxy-2-oxo-4-pentenoic acida-Keto-g-methyleneglutamic acidC6H6O5158.1088158.0215233022-methylidene-4-oxopentanedioic acid4-methylene-2-oxoglutarate55601-65-5OC(=O)C(=C)CC(=O)C(O)=OInChI=1S/C6H6O5/c1-3(5(8)9)2-4(7)6(10)11/h1-2H2,(H,8,9)(H,10,11)OARCEFMISOKEKI-UHFFFAOYSA-N belongs to the class of organic compounds known as gamma-keto acids and derivatives. These are organic compounds containing an aldehyde substituted with a keto group on the C4 carbon atom.Gamma-keto acids and derivativesOrganic compoundsOrganic acids and derivativesKeto acids and derivativesGamma-keto acids and derivativesAliphatic acyclic compoundsAlpha-hydroxy ketonesAlpha-keto acids and derivativesBranched fatty acidsCarboxylic acidsDicarboxylic acids and derivativesHydrocarbon derivativesOrganic oxidesShort-chain keto acids and derivativesUnsaturated fatty acidsAliphatic acyclic compoundAlpha-hydroxy ketoneAlpha-keto acidBranched fatty acidCarbonyl groupCarboxylic acidCarboxylic acid derivativeDicarboxylic acid or derivativesFatty acylGamma-keto acidHydrocarbon derivativeKetoneOrganic oxideOrganic oxygen compoundOrganooxygen compoundShort-chain keto acidUnsaturated fatty acidDicarboxylic acidsoxo carboxylic acidlogp0.08logs-1.48solubility5.27e+00 g/llogp0.34pka_strongest_acidic2.76pka_strongest_basic-9.8iupac2-methylidene-4-oxopentanedioic acidaverage_mass158.1088mono_mass158.021523302smilesOC(=O)C(=C)CC(=O)C(O)=OformulaC6H6O5inchiInChI=1S/C6H6O5/c1-3(5(8)9)2-4(7)6(10)11/h1-2H2,(H,8,9)(H,10,11)inchikeyOARCEFMISOKEKI-UHFFFAOYSA-Npolar_surface_area91.67refractivity33.26polarizability13rotatable_bond_count4acceptor_count5donor_count2physiological_charge-2formal_charge0Specdb::MsIr7649Specdb::MsIr7650Specdb::MsIr7651Specdb::CMs10757Specdb::CMs45536Specdb::CMs137738Specdb::CMs145472Specdb::NmrOneD22902Specdb::NmrOneD22903Specdb::NmrOneD22904Specdb::NmrOneD22905Specdb::NmrOneD22906Specdb::NmrOneD22907Specdb::NmrOneD22908Specdb::NmrOneD22909Specdb::NmrOneD22910Specdb::NmrOneD22911Specdb::NmrOneD22912Specdb::NmrOneD22913Specdb::NmrOneD22914Specdb::NmrOneD22915Specdb::NmrOneD22916Specdb::NmrOneD22917Specdb::NmrOneD22918Specdb::NmrOneD22919Specdb::NmrOneD22920Specdb::NmrOneD22921Specdb::MsMs93579Specdb::MsMs93580Specdb::MsMs93581Specdb::MsMs157371Specdb::MsMs157372Specdb::MsMs157373Specdb::MsMs2262643Specdb::MsMs2262644Specdb::MsMs2262645Specdb::MsMs3080271Specdb::MsMs3080272Specdb::MsMs3080273HMDB37759#<Reference:0x000055567408cd50>NutsUnknowngeneric