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CHEBI:57852 - prephenate(2−)

ChEBI IDCHEBI:57852
ChEBI Nameprephenate(2−)
Stars
ASCII Nameprephenate(2-)
DefinitionA dicarboxylic acid dianion that is the conjugate base of prephenic acid; major species at pH 7.3.
Last Modified19 January 2015
DownloadsMolfile
FormulaC10H8O6
Net Charge-2
Average Mass224.168
Monoisotopic Mass224.03319
SMILESO=C([O-])C(=O)CC1(C(=O)[O-])C=CC(O)C=C1
InChIInChI=1S/C10H10O6/c11-6-1-3-10(4-2-6,9(15)16)5-7(12)8(13)14/h1-4,6,11H,5H2,(H,13,14)(H,15,16)/p-2
InChIKeyFPWMCUPFBRFMLH-UHFFFAOYSA-L
Species of MetaboliteComponentSourceComments
Escherichia coli (ncbitaxon:562) - PubMed (17765195)
Roles Classification
Biological Roles:
plant metabolite  Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
Escherichia coli metabolite  Any bacterial metabolite produced during a metabolic reaction in Escherichia coli.
ChEBI Ontology
Outgoing Relation(s)
prephenate(2−) (CHEBI:57852) has role Escherichia coli metabolite (CHEBI:76971)
prephenate(2−) (CHEBI:57852) has role plant metabolite (CHEBI:76924)
prephenate(2−) (CHEBI:57852) is a dicarboxylic acid dianion (CHEBI:28965)
prephenate(2−) (CHEBI:57852) is conjugate base of prephenic acid (CHEBI:16666)
Incoming Relation(s)
(1s,4s)-prephenate(2−) (CHEBI:29934) is a prephenate(2−) (CHEBI:57852)
prephenic acid (CHEBI:16666) is conjugate acid of prephenate(2−) (CHEBI:57852)
IUPAC Name 
1-(2-carboxylato-2-oxoethyl)-4-hydroxycyclohexa-2,5-diene-1-carboxylate
Synonyms  Source
prephenateChEBI
prephenate dianionChEBI
Registry NumbersSources
Beilstein:5288208Beilstein