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
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Formula C7H7NO2
Net Charge 0
Average Mass 137.13602
Monoisotopic Mass 137.048
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 (Bronsted base).
(via oxoacid )
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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
Database Links 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 Waiting for Citations Types Sources
23745966 PubMed citation CiteXplore
23851602 PubMed citation CiteXplore
Last Modified
29 February 2016