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InChI=1S/CH4O/c1-2/h2H,1H3
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> Main
CHEBI:58203 - 2-formylbenzoate
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ChEBI Ontology
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ChEBI Name
2-formylbenzoate
ChEBI ID
CHEBI:58203
Definition
A benzoate anion arising from deprotonation of the carboxy group of 2-formylbenzoic acid; major species at pH 7.3.
Stars
This entity has been manually annotated by the ChEBI Team.
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Formula
C8H5O3
Net Charge
-1
Average Mass
149.12350
Monoisotopic Mass
149.02442
InChI
InChI=1S/C8H6O3/c9-5-6-3-1-2-4-7(6)8(10)11/h1-5H,(H,10,11)/p-1
InChIKey
DYNFCHNNOHNJFG-UHFFFAOYSA-M
SMILES
[O-]C(=O)c1ccccc1C=O
Roles Classification
Biological Role
(s):
bacterial xenobiotic metabolite
Any bacterial metabolite produced by metabolism of a xenobiotic compound in bacteria.
mouse metabolite
Any mammalian metabolite produced during a metabolic reaction in a mouse (
Mus musculus
).
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
2-formylbenzoate (
CHEBI:58203
)
has role
bacterial xenobiotic metabolite (
CHEBI:76976
)
2-formylbenzoate (
CHEBI:58203
)
has role
mouse metabolite (
CHEBI:75771
)
2-formylbenzoate (
CHEBI:58203
)
is a
aldehydic acid anion (
CHEBI:71944
)
2-formylbenzoate (
CHEBI:58203
)
is a
benzoates (
CHEBI:22718
)
2-formylbenzoate (
CHEBI:58203
)
is conjugate base of
2-formylbenzoic acid (
CHEBI:17605
)
Incoming
2-formylbenzoic acid (
CHEBI:17605
)
is conjugate acid of
2-formylbenzoate (
CHEBI:58203
)
IUPAC Name
2-formylbenzoate
Synonyms
Sources
2-carboxylatobenzaldehyde
ChEBI
2-formylbenzoate
UniProt
2-formylbenzoate anion
ChEBI
2-formylbenzoate(1−)
ChEBI
Registry Number
Type
Source
3664008
Reaxys Registry Number
Reaxys
Last Modified
19 June 2014