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> Main
CHEBI:140241 - 3-bromo-4-hydroxybenzoic acid
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ChEBI Name
3-bromo-4-hydroxybenzoic acid
ChEBI ID
CHEBI:140241
Definition
A monohydroxybenzoic acid that is 4-hydroxybenzoic acid carrying an additional bromo substituent at position 3.
Stars
This entity has been manually annotated by the ChEBI Team.
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Formula
C7H5BrO3
Net Charge
0
Average Mass
217.017
Monoisotopic Mass
215.94221
InChI
InChI=1S/C7H5BrO3/c8-5-3-4(7(10)11)1-2-6(5)9/h1-3,9H,(H,10,11)
InChIKey
XMEQDAIDOBVHEK-UHFFFAOYSA-N
SMILES
C=1(C=CC(=C(C1)Br)O)C(O)=O
Metabolite of Species
Details
Leathesia
(NCBI:txid27962)
See:
PubMed
Acinetobacter
sp.
(NCBI:txid869997)
of strain XB2 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):
algal metabolite
Any eukaryotic metabolite produced during a metabolic reaction in algae including unicellular organisms like chlorella and diatoms to multicellular organisms like giant kelps and brown algae.
bacterial xenobiotic metabolite
Any bacterial metabolite produced by metabolism of a xenobiotic compound in bacteria.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
3-bromo-4-hydroxybenzoic acid (
CHEBI:140241
)
has functional parent
benzoic acid (
CHEBI:30746
)
3-bromo-4-hydroxybenzoic acid (
CHEBI:140241
)
has role
algal metabolite (
CHEBI:84735
)
3-bromo-4-hydroxybenzoic acid (
CHEBI:140241
)
has role
bacterial xenobiotic metabolite (
CHEBI:76976
)
3-bromo-4-hydroxybenzoic acid (
CHEBI:140241
)
is a
bromobenzenes (
CHEBI:37149
)
3-bromo-4-hydroxybenzoic acid (
CHEBI:140241
)
is a
monohydroxybenzoic acid (
CHEBI:25389
)
3-bromo-4-hydroxybenzoic acid (
CHEBI:140241
)
is conjugate acid of
3-bromo-4-hydroxybenzoate (
CHEBI:140203
)
Incoming
3-bromo-4-hydroxybenzoate (
CHEBI:140203
)
is conjugate base of
3-bromo-4-hydroxybenzoic acid (
CHEBI:140241
)
IUPAC Name
3-bromo-4-hydroxybenzoic acid
Manual Xref
Database
CPD-20550
MetaCyc
View more database links
Registry Numbers
Types
Sources
14348-41-5
CAS Registry Number
ChemIDplus
2086166
Reaxys Registry Number
Reaxys
Citations
Types
Sources
15714798
PubMed citation
Europe PMC
21674164
PubMed citation
Europe PMC
26663844
PubMed citation
Europe PMC
Last Modified
22 February 2018