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InChI=1S/CH4O/c1-2/h2H,1H3
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CHEBI:44605 - 8-oxoguanine
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ChEBI Ontology
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ChEBI Name
8-oxoguanine
ChEBI ID
CHEBI:44605
Definition
An oxopurine that is guanine which is substituted by an oxo group at position 8.
Stars
This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs
CHEBI:44603, CHEBI:29116
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Molfile
Formula
C5H3N5O2
Net Charge
0
Average Mass
165.10960
Monoisotopic Mass
165.02867
InChI
InChI=1S/C5H3N5O2/c6-4-8-2-1(3(11)10-4)7-5(12)9-2/h(H3,6,8,9,10,11,12)
InChIKey
UBKVUFQGVWHZIR-UHFFFAOYSA-N
SMILES
Nc1nc2=NC(=O)N=c2c(=O)[nH]1
ChEBI Ontology
Outgoing
8-oxoguanine (
CHEBI:44605
)
has functional parent
guanine (
CHEBI:16235
)
8-oxoguanine (
CHEBI:44605
)
is a
2-aminopurines (
CHEBI:20702
)
8-oxoguanine (
CHEBI:44605
)
is a
oxopurine (
CHEBI:25810
)
IUPAC Name
2-amino-1
H
-purine-6,8-dione
Synonym
Source
8-OXOGUANINE
PDBeChem
Manual Xref
Database
OXG
PDBeChem
View more database links
Registry Numbers
Types
Sources
13603508
Reaxys Registry Number
Reaxys
82014-86-6
CAS Registry Number
ChemIDplus
Last Modified
07 May 2013