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> Main
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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Molfile
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Formula
C7H5N5O
Net Charge
0
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
.
View more via ChEBI Ontology
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-3
H
-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
View more database links
Registry Numbers
Types
Sources
5022878
Beilstein Registry Number
Beilstein
5022878
Reaxys Registry Number
Reaxys
Citations
Types
Sources
16511203
PubMed citation
Europe PMC
17929836
PubMed citation
Europe PMC
18931107
PubMed citation
Europe PMC
19261617
PubMed citation
Europe PMC
19354300
PubMed citation
Europe PMC
20129918
PubMed citation
Europe PMC
20875425
PubMed citation
Europe PMC
22032275
PubMed citation
Europe PMC
22787148
PubMed citation
Europe PMC
23201278
PubMed citation
Europe PMC
26391327
PubMed citation
Europe PMC
26929322
PubMed citation
Europe PMC
9242689
PubMed citation
Europe PMC
Last Modified
17 March 2016