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> Main
CHEBI:42682 - 3-aminobenzoic acid
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ChEBI Name
3-aminobenzoic acid
ChEBI ID
CHEBI:42682
Definition
An aminobenzoic acid carrying an amino group at position 3.
Stars
This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs
CHEBI:42675, CHEBI:30760
Supplier Information
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Formula
C7H7NO2
Net Charge
0
Average Mass
137.13602
Monoisotopic Mass
137.04768
InChI
InChI=1S/C7H7NO2/c8-6-3-1-2-5(4-6)7(9)10/h1-4H,8H2,(H,9,10)
InChIKey
XFDUHJPVQKIXHO-UHFFFAOYSA-N
SMILES
Nc1cccc(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
)
Bronsted base
A molecular entity capable of accepting a hydron from a donor (Br
o
nsted acid).
(via
organic amino compound
)
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
3-aminobenzoic acid (
CHEBI:42682
)
has functional parent
benzoic acid (
CHEBI:30746
)
3-aminobenzoic acid (
CHEBI:42682
)
is a
aminobenzoic acid (
CHEBI:22495
)
3-aminobenzoic acid (
CHEBI:42682
)
is conjugate acid of
3-aminobenzoate (
CHEBI:30761
)
Incoming
3-(oxaloamino)benzoic acid (
CHEBI:30868
)
has functional parent
3-aminobenzoic acid (
CHEBI:42682
)
tricaine (
CHEBI:81494
)
has functional parent
3-aminobenzoic acid (
CHEBI:42682
)
3-aminobenzoate (
CHEBI:30761
)
is conjugate base of
3-aminobenzoic acid (
CHEBI:42682
)
IUPAC Name
3-aminobenzoic acid
Synonyms
Sources
3-Aminobenzoesäure
ChEBI
3-AMINOBENZOIC ACID
PDBeChem
3-carboxyaniline
NIST Chemistry WebBook
m
-Aminobenzoesäure
ChEBI
m
-aminobenzoic acid
NIST Chemistry WebBook
m
-carboxyaniline
NIST Chemistry WebBook
MABA
ChemIDplus
Manual Xrefs
Databases
3-Aminobenzoic_acid
Wikipedia
DB02054
DrugBank
GAB
PDBeChem
HMDB01891
MetaCyc
View more database links
Registry Numbers
Types
Sources
27389
Gmelin Registry Number
Gmelin
471603
Beilstein Registry Number
Beilstein
471603
Reaxys Registry Number
Reaxys
99-05-8
CAS Registry Number
NIST Chemistry WebBook
99-05-8
CAS Registry Number
ChemIDplus
Citations
Types
Sources
23745966
PubMed citation
Europe PMC
23851602
PubMed citation
Europe PMC
Last Modified
29 February 2016