(1s,4s)-prephenic acid (CHEBI:84387)

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ChEBI Name	(1s,4s)-prephenic acid

ChEBI ID	CHEBI:84387

ChEBI ASCII Name	(1s,4s)-prephenic acid

Definition	A prephenic acid having (1s,4s)-cis-configuration.

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

Supplier Information	ZINC000100036740

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Formula

C10H10O6

Net Charge

Average Mass

226.18280

Monoisotopic Mass

226.04774

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)/t6-,10+

InChIKey

FPWMCUPFBRFMLH-XGAOUMNUSA-N

SMILES

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

Roles Classification
Chemical Role(s):	Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Bronsted base). (via oxoacid )

Biological Role(s):	plant metabolite Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms. (via prephenic acid ) Escherichia coli metabolite Any bacterial metabolite produced during a metabolic reaction in Escherichia coli. (via prephenic acid )

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

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

IUPAC Names

(1s,4s)-1-(2-carboxy-2-oxoethyl)-4-hydroxycyclohexa-2,5-diene-1-carboxylic acid

cis-1-(2-carboxy-2-oxoethyl)-4-hydroxycyclohexa-2,5-diene-1-carboxylic acid

Synonyms	Sources
cis-1-Carboxy-4-hydroxy-alpha-oxo-2,5-cyclohexadiene-1-propanoic acid	ChemIDplus
cis-prephenic acid	ChEBI
Prephenic acid, cis	ChemIDplus

Last Modified

19 January 2015