pentostatin (CHEBI:27834)

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ChEBI Name	pentostatin

ChEBI ID	CHEBI:27834

Definition	A member of the class of coformycins that is coformycin in which the hydroxy group at position 2' is replaced with a hydrogen. It is a drug used for the treatment of hairy cell leukaemia.

Stars	This entity has been manually annotated by the ChEBI Team.

Secondary ChEBI IDs	CHEBI:23617, CHEBI:41829, CHEBI:4406

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Formula

C11H16N4O4

Net Charge

Average Mass

268.273

Monoisotopic Mass

268.11716

InChI

InChI=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)/t6-,7+,8+,9+/m0/s1

InChIKey

FPVKHBSQESCIEP-JQCXWYLXSA-N

SMILES

OC[C@H]1O[C@H](C[C@@H]1O)N1C=NC2=C1N=CNC[C@H]2O

Metabolite of Species	Details
Aspergillus nidulans (NCBI:txid162425)	of strain Y 176-2 See: DOI

Roles Classification
Biological Role(s):	EC 3.5.4.4 (adenosine deaminase) inhibitor An EC 3.5.4.* (non-peptide cyclic amidine C-N hydrolase) inhibitor that interferes with the action of adenosine deaminase (EC 3.5.4.4). antimetabolite A substance which is structurally similar to a metabolite but which competes with it or replaces it, and so prevents or reduces its normal utilization. bacterial metabolite Any prokaryotic metabolite produced during a metabolic reaction in bacteria. Aspergillus metabolite Any fungal metabolite produced during a metabolic reaction in the mould, Aspergillus . nucleoside antibiotic (via coformycins )

Application(s):	antineoplastic agent A substance that inhibits or prevents the proliferation of neoplasms.

ChEBI Ontology
Outgoing	pentostatin (CHEBI:27834) has role Aspergillus metabolite (CHEBI:76956) pentostatin (CHEBI:27834) has role antimetabolite (CHEBI:35221) pentostatin (CHEBI:27834) has role antineoplastic agent (CHEBI:35610) pentostatin (CHEBI:27834) has role bacterial metabolite (CHEBI:76969) pentostatin (CHEBI:27834) has role EC 3.5.4.4 (adenosine deaminase) inhibitor (CHEBI:50445) pentostatin (CHEBI:27834) is a coformycins (CHEBI:39304) pentostatin (CHEBI:27834) is conjugate base of pentostatin(1+) (CHEBI:229687)

Incoming	pentostatin(1+) (CHEBI:229687) is conjugate acid of pentostatin (CHEBI:27834)

IUPAC Name

(8R)-3-(2-deoxy-β-D-erythro-pentofuranosyl)-3,6,7,8-tetrahydroimidazo[4,5-d][1,3]diazepin-8-ol

Brand Name	Source
Nipent	DrugBank

Registry Number	Type	Source
53910-25-1	CAS Registry Number	KEGG COMPOUND

Last Modified

01 March 2024