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CHEBI:229687 - pentostatin(1+)

ChEBI IDCHEBI:229687
ChEBI Namepentostatin(1+)
Stars
DefinitionAn organic cation that is the conjugate acid of pentostatin arising from protonation of the imine nitrogen; Major microspecies at pH 7.3.
Last Modified29 February 2024
SubmitterAnne Morgat
DownloadsMolfile
FormulaC11H17N4O4
Net Charge+1
Average Mass269.281
Monoisotopic Mass269.12443
SMILESOC[C@H]1O[C@@H](n2cnc3c2[NH+]=CNC[C@H]3O)C[C@@H]1O
InChIInChI=1S/C11H16N4O4/c16-3-8-6(17)1-9(19-8)15-5-14-10-7(18)2-12-4-13-11(10)15/h4-9,16-18H,1-3H2,(H,12,13)/p+1/t6-,7+,8+,9+/m0/s1
InChIKeyFPVKHBSQESCIEP-JQCXWYLXSA-O
ChEBI Ontology
Outgoing Relation(s)
pentostatin(1+) (CHEBI:229687) is a organic cation (CHEBI:25697)
pentostatin(1+) (CHEBI:229687) is conjugate acid of pentostatin (CHEBI:27834)
Incoming Relation(s)
pentostatin (CHEBI:27834) is conjugate base of pentostatin(1+) (CHEBI:229687)
IUPAC Name 
(8R)-3-(2-deoxy-β-D-erythro-pentofuranosyl)-8-hydroxy-3,6,7,8-tetrahydroimidazo[4,5-d][1,3]diazepin-4-ium
Synonym  Source
pentostatin cationChEBI
UniProt Name  Source
pentostatinUniProt
Citations