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CHEBI:74842 - ancitabine(1+)

ChEBI IDCHEBI:74842
ChEBI Nameancitabine(1+)
Stars
DefinitionAn organic cation resulting from the protonation of one of the nitrogens of ancitabine.
Last Modified22 July 2013
SubmitterGareth Owen
DownloadsMolfile
FormulaH.C9H11N3O4
Net Charge+1
Average Mass226.212
Monoisotopic Mass226.08223
SMILESN=c1ccn2c(n1)O[C@H]1[C@H](O)[C@@H](CO)O[C@H]12.[H+]
InChIInChI=1S/C9H11N3O4/c10-5-1-2-12-8-7(16-9(12)11-5)6(14)4(3-13)15-8/h1-2,4,6-8,10,13-14H,3H2/p+1/t4-,6-,7+,8-/m1/s1
InChIKeyBBDAGFIXKZCXAH-CCXZUQQUSA-O
ChEBI Ontology
Outgoing Relation(s)
ancitabine(1+) (CHEBI:74842) is a organic cation (CHEBI:25697)
ancitabine(1+) (CHEBI:74842) is conjugate acid of ancitabine (CHEBI:74838)
Incoming Relation(s)
ancitabine hydrochloride (CHEBI:74843) has part ancitabine(1+) (CHEBI:74842)
ancitabine (CHEBI:74838) is conjugate base of ancitabine(1+) (CHEBI:74842)