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

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CHEBI:29934 - (1s,4s)-prephenate(2−)

ChEBI ID	CHEBI:29934
ChEBI Name	(1s,4s)-prephenate(2−)
Stars
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.
Secondary ChEBI IDs	CHEBI:14884, CHEBI:26256
Last Modified	21 January 2016
Submitter	Marcus Ennis
Downloads	Molfile

Formula	C10H8O6
Net Charge	-2
Average Mass	224.168
Monoisotopic Mass	224.03319
SMILES	[H][C@]1(O)C=C[C@@](CC(=O)C(=O)[O-])(C(=O)[O-])C=C1
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

Species of Metabolite	Component	Source	Comments
Saccharomyces cerevisiae (ncbitaxon:4932)	-	PubMed (24678285)	Source: yeast.sf.net

Roles Classification

Biological Roles:

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.

plant metabolite Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.

ChEBI Ontology

Outgoing Relation(s)
	(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 Relation(s)
	(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

Synonym	Source
cis-prephenate	ChEBI

UniProt Name	Source
prephenate	UniProt

Manual Xrefs	Databases
C00254	KEGG COMPOUND
PREPHENATE	MetaCyc

Registry Numbers	Sources
Reaxys:3682733	Reaxys