(1s,4s)-prephenate(2-) (CHEBI:29934)

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ChEBI Name	(1s,4s)-prephenate(2−)

ChEBI ID	CHEBI:29934

ChEBI ASCII Name	(1s,4s)-prephenate(2-)

Definition	A prephenate(2−) obtained by deprotonation of both carboxy groups of (1s,4s)-prephenic acid; major species at pH 7.3.

Stars	This entity has been manually annotated by the ChEBI Team.

Secondary ChEBI IDs	CHEBI:26256, CHEBI:14884

Supplier Information	ChemicalBook:CB1457234, eMolecules:475045, ZINC000000105246

Download	Molfile XML SDF

Formula

C10H8O6

Net Charge

-2

Average Mass

224.16800

Monoisotopic Mass

224.03319

InChI

InChI=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/t6-,10+

InChIKey

FPWMCUPFBRFMLH-XGAOUMNUSA-L

SMILES

O[C@H]1C=C[C@](CC(=O)C([O-])=O)(C=C1)C([O-])=O

Metabolite of Species	Details
Saccharomyces cerevisiae (NCBI:txid4932)	Source: yeast.sf.net See: PubMed

Roles Classification
Biological Role(s):	Saccharomyces cerevisiae metabolite Any fungal metabolite produced during a metabolic reaction in Baker's yeast (Saccharomyces cerevisiae ). Escherichia coli metabolite Any bacterial metabolite produced during a metabolic reaction in Escherichia coli. (via prephenate(2-) ) plant metabolite Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms. (via prephenate(2-) )

ChEBI Ontology
Outgoing	(1s,4s)-prephenate(2−) (CHEBI:29934) has role Saccharomyces cerevisiae metabolite (CHEBI:75772) (1s,4s)-prephenate(2−) (CHEBI:29934) is a prephenate(2−) (CHEBI:57852) (1s,4s)-prephenate(2−) (CHEBI:29934) is conjugate base of (1s,4s)-prephenic acid (CHEBI:84387) (1s,4s)-prephenate(2−) (CHEBI:29934) is conjugate base of prephenic acid (CHEBI:16666)

Incoming	(1s,4s)-prephenic acid (CHEBI:84387) is conjugate acid of (1s,4s)-prephenate(2−) (CHEBI:29934) prephenic acid (CHEBI:16666) is conjugate acid of (1s,4s)-prephenate(2−) (CHEBI:29934)

IUPAC Names

(1s,4s)-1-(2-carboxylato-2-oxoethyl)-4-hydroxycyclohexa-2,5-diene-1-carboxylate

cis-1-(2-carboxylato-2-oxoethyl)-4-hydroxycyclohexa-2,5-diene-1-carboxylate

Registry Number	Type	Source
3682733	Reaxys Registry Number	Reaxys

Last Modified

21 January 2016