CHEBI:45075 - 7-cyano-7-deazaguanine

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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
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Formula C7H5N5O
Net Charge 0
Average Mass 175.14750
Monoisotopic Mass 175.049
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.
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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
Manual Xrefs Databases
7-CYANO-7-DEAZAGUANINE MetaCyc
C15996 KEGG COMPOUND
PQ0 PDBeChem
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Registry Numbers Types Sources
5022878 Beilstein Registry Number Beilstein
5022878 Reaxys Registry Number Reaxys
Citations Waiting for Citations Types Sources
16511203 PubMed citation Europe PMC
17929836 PubMed citation Europe PMC
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Last Modified
17 March 2016