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CHEBI:45075 - 7-cyano-7-deazaguanine

ChEBI IDCHEBI:45075
ChEBI Name7-cyano-7-deazaguanine
Stars
DefinitionA pyrrolopyrimidine that is 7-deazaguanine substituted at position 7 by a cyano group.
Secondary ChEBI IDCHEBI:677358
Last Modified12 May 2025
DownloadsMolfile
FormulaC7H5N5O
Net Charge0
Average Mass175.151
Monoisotopic Mass175.04941
SMILESN#Cc1cnc2nc(N)nc(=O)c12
InChIInChI=1S/C7H5N5O/c8-1-3-2-10-5-4(3)6(13)12-7(9)11-5/h2H,(H4,9,10,11,12,13)
InChIKeyFMKSMYDYKXQYRV-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Escherichia coli (ncbitaxon:562) - PubMed (21988831)
Roles Classification
Biological Role:
Escherichia coli metabolite  Any bacterial metabolite produced during a metabolic reaction in Escherichia coli.
ChEBI Ontology
Outgoing Relation(s)
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  Source
2-AMINO-4-OXO-4,7-DIHYDRO-3H-PYRROLO[2,3-D]PYRIMIDINE-5-CARBONITRILEPDBeChem
7-CN-7-deazaGChEBI
7-Cyano-7-carbaguanineKEGG COMPOUND
7-Cyano-7-deazaguanineKEGG COMPOUND
preQ(0)ChEBI
UniProt Name  Source
7-cyano-7-carbaguanineUniProt
Manual XrefsDatabases
7-CYANO-7-DEAZAGUANINEMetaCyc
C15996KEGG COMPOUND
PQ0PDBeChem
Registry NumbersSources
Reaxys:5022878Reaxys
Citations