CHEBI:135996 - ibacitabine

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name ibacitabine
ChEBI ID CHEBI:135996
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C9H12IN3O4
Net Charge 0
Average Mass 353.114
Monoisotopic Mass 352.98725
InChI InChI=1S/C9H12IN3O4/c10-4-2-13(9(16)12-8(4)11)7-1-5(15)6(3-14)17-7/h2,5-7,14-15H,1,3H2,(H2,11,12,16)/t5-,6+,7+/m0/s1
InChIKey WEVJJMPVVFNAHZ-RRKCRQDMSA-N
SMILES O=C1N(C=C(C(=N1)N)I)[C@@H]2O[C@@H]([C@H](C2)O)CO
ChEBI Ontology
Outgoing ibacitabine (CHEBI:135996) is a pyrimidine 2'-deoxyribonucleoside (CHEBI:19255)
Synonym Source
iododeoxycytidine DrugCentral
Manual Xref Database
4572 DrugCentral
View more database links
Registry Number Type Source
611-53-0 CAS Registry Number DrugCentral
Last Modified
23 February 2017