CHEBI:125204 - 4-guanidinobenzoic acid

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 4-guanidinobenzoic acid
ChEBI ID CHEBI:125204
Definition Benzoic acid substituted at the para position by a guanidino group.
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:42695
Supplier Information
Download Molfile XML SDF
more structures >>
Formula C8H9N3O2
Net Charge 0
Average Mass 179.17600
Monoisotopic Mass 179.06948
InChI InChI=1S/C8H9N3O2/c9-8(10)11-6-3-1-5(2-4-6)7(12)13/h1-4H,(H,12,13)(H4,9,10,11)
InChIKey SXTSBZBQQRIYCU-UHFFFAOYSA-N
SMILES NC(=N)Nc1ccc(cc1)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 )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 4-guanidinobenzoic acid (CHEBI:125204) is a benzoic acids (CHEBI:22723)
4-guanidinobenzoic acid (CHEBI:125204) is a guanidines (CHEBI:24436)
Incoming camostat (CHEBI:135632) has functional parent 4-guanidinobenzoic acid (CHEBI:125204)
IUPAC Name
4-carbamimidamidobenzoic acid
Synonyms Sources
4-Guanidino-benzoic acid ChEMBL
p-guanidinobenzoic acid ChEBI
Manual Xrefs Databases
DB02459 DrugBank
GBS PDBeChem
JP2004284982 Patent
View more database links
Registry Numbers Types Sources
16060-65-4 CAS Registry Number ChemIDplus
2369015 Reaxys Registry Number Reaxys
2369015 Beilstein Registry Number Beilstein
Citations Waiting for Citations Types Sources
10848923 PubMed citation Europe PMC
1144503 PubMed citation Europe PMC
28166217 PubMed citation Europe PMC
Last Modified
13 April 2021