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InChI=1S/CH4O/c1-2/h2H,1H3
,
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ChEBI
> Main
CHEBI:84387 - (1
s
,4
s
)-prephenic acid
Main
ChEBI Ontology
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ChEBI Name
(1
s
,4
s
)-prephenic acid
ChEBI ID
CHEBI:84387
ChEBI ASCII Name
(1s,4s)-prephenic acid
Definition
A prephenic acid having (1
s
,4
s
)-
cis
-configuration.
Stars
This entity has been manually annotated by the ChEBI Team.
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Read full article at Wikipedia
Formula
C10H10O6
Net Charge
0
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 (Br
o
nsted 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
)
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
(1
s
,4
s
)-prephenic acid (
CHEBI:84387
)
is a
prephenic acid (
CHEBI:16666
)
(1
s
,4
s
)-prephenic acid (
CHEBI:84387
)
is conjugate acid of
(1
s
,4
s
)-prephenate(2−) (
CHEBI:29934
)
Incoming
(1
s
,4
s
)-prephenate(2−) (
CHEBI:29934
)
is conjugate base of
(1
s
,4
s
)-prephenic acid (
CHEBI:84387
)
IUPAC Names
(1
s
,4
s
)-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
Manual Xrefs
Databases
C00254
KEGG COMPOUND
PREPHENATE
MetaCyc
Prephenic_acid
Wikipedia
View more database links
Registry Numbers
Types
Sources
126-49-8
CAS Registry Number
KEGG COMPOUND
2698271
Reaxys Registry Number
Reaxys
87664-40-2
CAS Registry Number
ChemIDplus
Last Modified
19 January 2015