EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:756085 - iosarcol

Default Structure
ChEBI IDCHEBI:756085
ChEBI Nameiosarcol
Stars
Last Modified29 June 2026
SubmitterChEMBL
DownloadsMolfile
FormulaC21H29I3N4O9
Net Charge0
Average Mass862.194
Monoisotopic Mass861.90687
SMILESCC(=O)Nc1c(I)c(NC(C)=O)c(I)c(C(=O)N(C)CC(=O)N(C)C[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO)c1I
InChIInChI=1S/C21H29I3N4O9/c1-8(30)25-17-14(22)13(15(23)18(16(17)24)26-9(2)31)21(37)28(4)6-12(34)27(3)5-10(32)19(35)20(36)11(33)7-29/h10-11,19-20,29,32-33,35-36H,5-7H2,1-4H3,(H,25,30)(H,26,31)/t10-,11+,19+,20+/m0/s1
InChIKeyIWLIBARWYNRYQO-OCPVLIPCSA-N
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
iosarcol (CHEBI:756085) is a amidobenzoic acid (CHEBI:48470)
INN  Source
iosarcolWHO MedNet