CHEBI:42682 - 3-aminobenzoic acid

ChEBI IDCHEBI:42682
ChEBI Name3-aminobenzoic acid
Stars
DefinitionAn aminobenzoic acid carrying an amino group at position 3.
Secondary ChEBI IDsCHEBI:30760, CHEBI:42675
Last Modified29 February 2016
SubmitterKirill Degtyarenko
DownloadsMolfile
FormulaC7H7NO2
Net Charge0
Average Mass137.138
Monoisotopic Mass137.04768
SMILESNc1cccc(C(=O)O)c1
InChIInChI=1S/C7H7NO2/c8-6-3-1-2-5(4-6)7(9)10/h1-4H,8H2,(H,9,10)
InChIKeyXFDUHJPVQKIXHO-UHFFFAOYSA-N
Wikipedia
Roles Classification
Chemical Roles:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
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 Relation(s)
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  Source
m-aminobenzoic acidNIST Chemistry WebBook
3-carboxyanilineNIST Chemistry WebBook
m-carboxyanilineNIST Chemistry WebBook
MABAChemIDplus
3-AMINOBENZOIC ACIDPDBeChem
m-AminobenzoesäureChEBI
Manual XrefsDatabases
GABPDBeChem
3-Aminobenzoic_acidWikipedia
DB02054DrugBank
HMDB01891MetaCyc
Registry NumbersSources
Gmelin:27389Gmelin
Beilstein:471603Beilstein
Reaxys:471603Reaxys
CAS:99-05-8ChemIDplus
CAS:99-05-8NIST Chemistry WebBook
Citations