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InChI=1S/CH4O/c1-2/h2H,1H3
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CHEBI:62462 - isoguanine
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ChEBI Ontology
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ChEBI Name
isoguanine
ChEBI ID
CHEBI:62462
Definition
An oxopurine that is 3,7-dihydro-purin-2-one in which the hydrogen at position 6 is substituted by an amino group.
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This entity has been manually annotated by the ChEBI Team.
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Molfile
Molfile
Molfile
Formula
C5H5N5O
Net Charge
0
Average Mass
151.12610
Monoisotopic Mass
151.04941
InChI
InChI=1S/C5H5N5O/c6-3-2-4(8-1-7-2)10-5(11)9-3/h1H,(H4,6,7,8,9,10,11)
InChIKey
DRAVOWXCEBXPTN-UHFFFAOYSA-N
SMILES
Nc1nc(=O)[nH]c2nc[nH]c12
ChEBI Ontology
Outgoing
isoguanine (
CHEBI:62462
)
is a
oxopurine (
CHEBI:25810
)
IUPAC Name
6-amino-3,7-dihydro-2
H
-purin-2-one
Synonyms
Sources
2-hydroxyadenine
ChEBI
2-oxoadenine
ChEBI
6-amino-1,3-dihydro-2
H
-purin-2-one
ChemIDplus
6-amino-3,7-dihydro-purin-2-one
ChEBI
6-amino-3,9-dihydro-2
H
-purin-2-one
IUPAC
6-amino-7
H
-purin-2-ol
IUPAC
6-amino-9
H
-purin-2-ol
IUPAC
isoguanine
UniProt
Registry Numbers
Types
Sources
151787
Reaxys Registry Number
Reaxys
3373-53-3
CAS Registry Number
ChemIDplus
Citations
Types
Sources
1018622
PubMed citation
Europe PMC
14615972
PubMed citation
Europe PMC
14709079
PubMed citation
Europe PMC
8841637
PubMed citation
Europe PMC
9726918
PubMed citation
Europe PMC
Last Modified
23 October 2015
General Comment
2011-06-29
Isoguanine is an oxidation product of adenine in DNA.