Services
Research
Training
Industry
About us
ChEBI
Examples:
iron*
,
InChI=1S/CH4O/c1-2/h2H,1H3
,
caffeine
Advanced
Home
Advanced Search
Browse
Documentation
Download
Tools
About ChEBI
Submit
Contact us
DiNA
Statistics
Entity of the Month
Periodic Table
Ontology
Train online
User Manual
Annotation Manual
Developer Manual
FAQ's
BiNChE
libChEBI
Web Services
ChEBI
> Main
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
Find compounds which contain this structure
Find compounds which resemble this structure
Take structure to the Advanced Search
more structures >>
Molfile
expand
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 (Br
o
nsted 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
Types
Sources
10848923
PubMed citation
Europe PMC
1144503
PubMed citation
Europe PMC
28166217
PubMed citation
Europe PMC
Last Modified
13 April 2021