1.02010-04-08 22:08:01 UTC2019-11-26 03:02:26 UTCFDB008305(E)-Aconitic acidIsolated from Asarum europaeum, from cane-sugar molasses, roasted chicory root, roasted malt barley, passion fruit, sorghum root and sugar beet. Flavouring agent used in fruit flavours and alcoholic beverages. Aconitic acid is an organic acid. The two isomers are cis-aconitic acid and trans-aconitic acid. The conjugate base of cis-aconitic acid, cis-aconitate is an intermediate in the isomerisation of citrate to isocitrate in the citric acid cycle. It is acted upon by aconitase. Trans-aconitate in the urine is a biomarker for the consumption of soy products. (E)-Aconitic acid is found in many foods, some of which are cereals and cereal products, rice, garden tomato (variety), and root vegetables.(1e)-1-Propene-1,2,3-tricarboxylate(1E)-1-Propene-1,2,3-tricarboxylic acid(1e)-Prop-1-ene-1,2,3-tricarboxylic(1E)-Prop-1-ene-1,2,3-tricarboxylic acid(1e)1-Propene-1,2,3-tricarboxylate(1e)1-Propene-1,2,3-tricarboxylic acid(e)-1-Propene-1,2,3-tricarboxylate(E)-1-Propene-1,2,3-tricarboxylic acid(E)-Aconitic acid1-Propene-1-trans-2,3-tricarboxylic acid1-Propene-1,2,3-tricarboxylic acid, (1E)-1-Propene-1,2,3-tricarboxylic acid, (E)- (8CI)(9CI)1-trans-Propene-1,2,3-tricarboxylic acidAcidAconitic acid, transTRAtrans-1-Propene-1,2,3-tricarboxylic acidtrans-Aconitatetrans-Aconitic acidtrans-Propene-1,2,3-tricarboxylic acidC6H6O6174.1082174.016437924(1E)-prop-1-ene-1,2,3-tricarboxylic acidtrans aconitic acid4023-65-8OC(=O)C\C(=C/C(O)=O)C(O)=OInChI=1S/C6H6O6/c7-4(8)1-3(6(11)12)2-5(9)10/h1H,2H2,(H,7,8)(H,9,10)(H,11,12)/b3-1+GTZCVFVGUGFEME-HNQUOIGGSA-N belongs to the class of organic compounds known as tricarboxylic acids and derivatives. These are carboxylic acids containing exactly three carboxyl groups.Tricarboxylic acids and derivativesOrganic compoundsOrganic acids and derivativesCarboxylic acids and derivativesTricarboxylic acids and derivativesAliphatic acyclic compoundsCarbonyl compoundsCarboxylic acidsHydrocarbon derivativesOrganic oxidesAliphatic acyclic compoundCarbonyl groupCarboxylic acidHydrocarbon derivativeOrganic oxideOrganic oxygen compoundOrganooxygen compoundTricarboxylic acid or derivativesaconitic acidSolidlogp-0.41logs-1.41solubility6.72e+00 g/lmelting_pointMp 194-195° dec.logp-0.52pka_strongest_acidic3.15iupac(1E)-prop-1-ene-1,2,3-tricarboxylic acidaverage_mass174.1082mono_mass174.016437924smilesOC(=O)C\C(=C/C(O)=O)C(O)=OformulaC6H6O6inchiInChI=1S/C6H6O6/c7-4(8)1-3(6(11)12)2-5(9)10/h1H,2H2,(H,7,8)(H,9,10)(H,11,12)/b3-1+inchikeyGTZCVFVGUGFEME-HNQUOIGGSA-Npolar_surface_area111.9refractivity35.23polarizability13.96rotatable_bond_count4acceptor_count6donor_count3physiological_charge-3formal_charge0Specdb::NmrTwoD1564Specdb::EiMs1898Specdb::MsIr996Specdb::MsIr997Specdb::MsIr998Specdb::CMs1419Specdb::CMs2632Specdb::CMs31269Specdb::CMs32350Specdb::CMs37865Specdb::CMs152674Specdb::MsMs1360Specdb::MsMs1361Specdb::MsMs1362Specdb::MsMs4975Specdb::MsMs4976Specdb::MsMs4977Specdb::MsMs4978Specdb::MsMs4979Specdb::MsMs4980Specdb::MsMs178581Specdb::MsMs178582Specdb::MsMs178583Specdb::MsMs180900Specdb::MsMs180901Specdb::MsMs180902Specdb::MsMs437211Specdb::MsMs437212Specdb::MsMs437213Specdb::MsMs437214Specdb::MsMs437215Specdb::MsMs439246Specdb::MsMs2227012Specdb::MsMs2227720Specdb::MsMs2229413Specdb::MsMs2230044Specdb::NmrOneD1623Specdb::NmrOneD8082Specdb::NmrOneD8083Specdb::NmrOneD8084Specdb::NmrOneD8085Specdb::NmrOneD8086Specdb::NmrOneD8087Specdb::NmrOneD8088Specdb::NmrOneD8089Specdb::NmrOneD8090Specdb::NmrOneD8091Specdb::NmrOneD8092Specdb::NmrOneD8093Specdb::NmrOneD8094Specdb::NmrOneD8095Specdb::NmrOneD8096Specdb::NmrOneD8097Specdb::NmrOneD8098Specdb::NmrOneD8099Specdb::NmrOneD8100Specdb::NmrOneD8101HMDB0095832806#<Reference:0x0000555674715ed8>#<Reference:0x0000555674715c08>#<Reference:0x00005556747159b0>AnatidaeType 1specificAnatidae8830BeefaloType 1specificBos taurus X Bison bison297284BeerType 2specific0.0270.0450.0mg/100 gBisonType 1specificBison bison9901Breakfast cerealType 2specificBuffaloType 1specificBubalus bubalis89462Cattle (Beef, Veal)Type 1specificBos taurus9913Cereals and cereal productsUnknowngenericChickenType 1specificGallus gallus9031Columbidae (Dove, Pigeon)Type 1specificColumbidae8930DeerType 1specificCervidae9850Domestic goatType 1specificCapra aegagrus hircus9925Domestic pigType 1specificSus scrofa domestica9825ElkType 1specificCervus canadensis1574408EmuType 1specificDromaius novaehollandiae8790European rabbitType 1specificOryctolagus9984FruitsUnknowngenericGarden tomato (var.)Type 1specificSolanum lycopersicum var. lycopersicum397755Greylag gooseType 1specificAnser anser8843Guinea henType 1specificNumida meleagris8996HorseType 1specificEquus caballus9796Mallard duckType 1specificAnas platyrhynchos8839Mountain hareType 1specificLepus timidus62621Mule deerType 1specificOdocoileus9871OstrichType 1specificStruthio camelus8801PheasantType 1specificPhasianus colchicus9054QuailType 1specificPhasianidae9005RabbitType 1specificLeporidae9979RiceType 1specificOryza sativa4530Rock ptarmiganType 1specificLagopus muta64668Root vegetablesUnknowngenericSheep (Mutton, Lamb)Type 1specificOvis aries9940Soy beanType 1specificGlycine max3847SquabType 1specificColumba8931TurkeyType 1specificMeleagris gallopavo9103Velvet duckType 1specificMelanitta fusca371864Wild boarType 1specificSus scrofa9823drymustynuttoastedvegetableanti feedant275pesticide1210Strictly, a substance intended to kill pests. In common usage, any substance used for controlling, preventing, or destroying animal, microbiological or plant pests.