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InChI=1S/CH4O/c1-2/h2H,1H3
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ChEBI
> Main
CHEBI:29934 - (1
s
,4
s
)-prephenate(2−)
Main
ChEBI Ontology
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ChEBI Name
(1
s
,4
s
)-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 (1
s
,4
s
)-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
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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-)
)
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
(1
s
,4
s
)-prephenate(2−) (
CHEBI:29934
)
has role
Saccharomyces cerevisiae
metabolite (
CHEBI:75772
)
(1
s
,4
s
)-prephenate(2−) (
CHEBI:29934
)
is a
prephenate(2−) (
CHEBI:57852
)
(1
s
,4
s
)-prephenate(2−) (
CHEBI:29934
)
is conjugate base of
(1
s
,4
s
)-prephenic acid (
CHEBI:84387
)
(1
s
,4
s
)-prephenate(2−) (
CHEBI:29934
)
is conjugate base of
prephenic acid (
CHEBI:16666
)
Incoming
(1
s
,4
s
)-prephenic acid (
CHEBI:84387
)
is conjugate acid of
(1
s
,4
s
)-prephenate(2−) (
CHEBI:29934
)
prephenic acid (
CHEBI:16666
)
is conjugate acid of
(1
s
,4
s
)-prephenate(2−) (
CHEBI:29934
)
IUPAC Names
(1
s
,4
s
)-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
Synonyms
Sources
cis
-prephenate
ChEBI
prephenate
UniProt
Manual Xrefs
Databases
C00254
KEGG COMPOUND
PREPHENATE
MetaCyc
View more database links
Registry Numbers
Types
Sources
3682733
Beilstein Registry Number
Beilstein
3682733
Reaxys Registry Number
Reaxys
Last Modified
21 January 2016