CHEBI:5951 - Iopanoic acid

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name Iopanoic acid
ChEBI ID CHEBI:5951
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formulae C11H12I3NO2
C11H12I3NO2
Net Charge 0
Average Mass 570.932
Monoisotopic Mass 570.80021
InChI InChI=1S/C11H12I3NO2/c1-2-5(11(16)17)3-6-7(12)4-8(13)10(15)9(6)14/h4-5H,2-3,15H2,1H3,(H,16,17)
InChIKey OIRFJRBSRORBCM-UHFFFAOYSA-N
SMILES CCC(Cc1c(I)cc(I)c(N)c1I)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 Iopanoic acid (CHEBI:5951) is a monocarboxylic acid (CHEBI:25384)
Synonyms Sources
iodopanic acid DrugCentral
iodopanoic acid DrugCentral
Iopanoic acid KEGG COMPOUND
iopanoicum DrugCentral
Manual Xrefs Databases
1465 DrugCentral
C08217 KEGG COMPOUND
D01014 KEGG DRUG
LSM-1545 LINCS
View more database links
Registry Number Type Source
96-83-3 CAS Registry Number KEGG COMPOUND
Last Modified
22 February 2017