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CHEBI:46171 - 4-acetamidobenzoic acid
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ChEBI Name
4-acetamidobenzoic acid
ChEBI ID
CHEBI:46171
Definition
A amidobenzoic acid that consists of benzoic acid bearing an acetamido substituent at position 4.
Stars
This entity has been manually annotated by the ChEBI Team.
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Formula
C9H9NO3
Net Charge
0
Average Mass
179.17270
Monoisotopic Mass
179.05824
InChI
InChI=1S/C9H9NO3/c1-6(11)10-8-4-2-7(3-5-8)9(12)13/h2-5H,1H3,(H,10,11)(H,12,13)
InChIKey
QCXJEYYXVJIFCE-UHFFFAOYSA-N
SMILES
CC(=O)Nc1ccc(cc1)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
)
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
4-acetamidobenzoic acid (
CHEBI:46171
)
has functional parent
4-aminobenzoic acid (
CHEBI:30753
)
4-acetamidobenzoic acid (
CHEBI:46171
)
is a
amidobenzoic acid (
CHEBI:48470
)
4-acetamidobenzoic acid (
CHEBI:46171
)
is conjugate acid of
4-acetamidobenzoate (
CHEBI:63815
)
Incoming
4-acetamidobenzoate (
CHEBI:63815
)
is conjugate base of
4-acetamidobenzoic acid (
CHEBI:46171
)
IUPAC Name
4-acetamidobenzoic acid
INNs
Sources
acedoben
DrugBank
acedobene
DrugBank
acedobenum
DrugBank
Synonyms
Sources
4-(Acetylamino)benzoic acid
DrugBank
4-Acetylaminobenzoic acid
DrugBank
4-Carboxyacetanilide
DrugBank
N-Acetyl-p-aminobenzoic acid
DrugBank
N-Acetyl-PABA
DrugBank
p-Acetamidobenzoic acid
DrugBank
p-Acetoaminobenzoic acid
NIST Chemistry WebBook
p-Acetylaminobenzoic acid
DrugBank
PARA ACETAMIDO BENZOIC ACID
PDBeChem
Manual Xrefs
Databases
DB04500
DrugBank
TYZ
PDBeChem
View more database links
Registry Numbers
Types
Sources
390602
Reaxys Registry Number
Reaxys
556-08-1
CAS Registry Number
NIST Chemistry WebBook
556-08-1
CAS Registry Number
ChemIDplus
Citations
Types
Sources
11808848
PubMed citation
Europe PMC
7585581
PubMed citation
Europe PMC
Last Modified
06 February 2012