7-cyano-7-deazaguanine (CHEBI:45075)

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ChEBI Name	7-cyano-7-deazaguanine

ChEBI ID	CHEBI:45075

Definition	A pyrrolopyrimidine that is 7-deazaguanine substituted at position 7 by a cyano group.

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

Secondary ChEBI IDs	CHEBI:677358

Supplier Information

Download	Molfile XML SDF

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Formula

C7H5N5O

Net Charge

Average Mass

175.14750

Monoisotopic Mass

175.04941

InChI

InChI=1S/C7H5N5O/c8-1-3-2-10-5-4(3)6(13)12-7(9)11-5/h2H,(H4,9,10,11,12,13)

InChIKey

FMKSMYDYKXQYRV-UHFFFAOYSA-N

SMILES

Nc1nc2[nH]cc(C#N)c2c(=O)[nH]1

Metabolite of Species	Details
Escherichia coli (NCBI:txid562)	See: PubMed

Roles Classification
Biological Role(s):	Escherichia coli metabolite Any bacterial metabolite produced during a metabolic reaction in Escherichia coli.

ChEBI Ontology
Outgoing	7-cyano-7-deazaguanine (CHEBI:45075) has functional parent 7-carboxy-7-deazaguanine (CHEBI:61125) 7-cyano-7-deazaguanine (CHEBI:45075) has role Escherichia coli metabolite (CHEBI:76971) 7-cyano-7-deazaguanine (CHEBI:45075) is a nitrile (CHEBI:18379) 7-cyano-7-deazaguanine (CHEBI:45075) is a pyrrolopyrimidine (CHEBI:38670)

IUPAC Name

2-amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile

Synonyms	Sources
2-AMINO-4-OXO-4,7-DIHYDRO-3H-PYRROLO[2,3-D]PYRIMIDINE-5-CARBONITRILE	PDBeChem
7-CN-7-deazaG	ChEBI
7-Cyano-7-carbaguanine	KEGG COMPOUND
7-cyano-7-deazaguanine	UniProt
7-Cyano-7-deazaguanine	KEGG COMPOUND
preQ(0)	ChEBI

Last Modified

17 March 2016