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InChI=1S/CH4O/c1-2/h2H,1H3
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> Main
CHEBI:16666 - prephenic acid
Main
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ChEBI Name
prephenic acid
ChEBI ID
CHEBI:16666
Definition
An oxo dicarboxylic acid that consists of 4-hydroxycyclohexa-2,5-diene-1-carboxylic acid substituted by a 2-carboxy-2-oxoethyl group at position 1.
Stars
This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs
CHEBI:45028, CHEBI:8399, CHEBI:26257
Supplier Information
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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)
InChIKey
FPWMCUPFBRFMLH-UHFFFAOYSA-N
SMILES
OC1C=CC(CC(=O)C(O)=O)(C=C1)C(O)=O
Metabolite of Species
Details
Escherichia coli
(NCBI:txid562)
See:
PubMed
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.
Escherichia coli metabolite
Any bacterial metabolite produced during a metabolic reaction in
Escherichia coli
.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
prephenic acid (
CHEBI:16666
)
has role
Escherichia coli
metabolite (
CHEBI:76971
)
prephenic acid (
CHEBI:16666
)
has role
plant metabolite (
CHEBI:76924
)
prephenic acid (
CHEBI:16666
)
is a
oxo dicarboxylic acid (
CHEBI:36145
)
prephenic acid (
CHEBI:16666
)
is conjugate acid of
(1
s
,4
s
)-prephenate(2−) (
CHEBI:29934
)
prephenic acid (
CHEBI:16666
)
is conjugate acid of
prephenate(2−) (
CHEBI:57852
)
Incoming
(1
s
,4
s
)-prephenic acid (
CHEBI:84387
)
is a
prephenic acid (
CHEBI:16666
)
(1
s
,4
s
)-prephenate(2−) (
CHEBI:29934
)
is conjugate base of
prephenic acid (
CHEBI:16666
)
prephenate(2−) (
CHEBI:57852
)
is conjugate base of
prephenic acid (
CHEBI:16666
)
Synonyms
Sources
1-Carboxy-4-hydroxy-2,5-cyclohexadiene-1-pyruvic acid
ChemIDplus
1-carboxy-4-hydroxy-α-oxo-2,5-cyclohexadiene-1-propanoic acid
ChemIDplus
Prephenic acid
KEGG COMPOUND
PREPHENIC ACID
PDBeChem
Manual Xrefs
Databases
C00019632
KNApSAcK
DB08427
DrugBank
HMDB0012283
HMDB
PRE
PDBeChem
Prephenic_acid
Wikipedia
View more database links
Registry Numbers
Types
Sources
126-49-8
CAS Registry Number
ChemIDplus
2698270
Reaxys Registry Number
Reaxys
2698270
Beilstein Registry Number
Beilstein
Citations
Types
Sources
1156090
PubMed citation
Europe PMC
13363412
PubMed citation
Europe PMC
14185725
PubMed citation
Europe PMC
155813
PubMed citation
Europe PMC
IND44654981
Agricola citation
Europe PMC
Last Modified
16 July 2015