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InChI=1S/CH4O/c1-2/h2H,1H3
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ChEBI
> Main
CHEBI:21818 -
N
2
-methylguanine
Main
ChEBI Ontology
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ChEBI Name
N
2
-methylguanine
ChEBI ID
CHEBI:21818
ChEBI ASCII Name
N(2)-methylguanine
Definition
A methylguanine in which the methyl group is located at the N2-position.
Stars
This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs
CHEBI:89472
Supplier Information
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Formula
C6H7N5O
Net Charge
0
Average Mass
165.153
Monoisotopic Mass
165.06506
InChI
InChI=1S/C6H7N5O/c1-7-6-10-4-3(5(12)11-6)8-2-9-4/h2H,1H3,(H3,7,8,9,10,11,12)
InChIKey
SGSSKEDGVONRGC-UHFFFAOYSA-N
SMILES
O=C1N=C(NC=2NC=NC21)NC
Roles Classification
Chemical Role
(s):
Bronsted base
A molecular entity capable of accepting a hydron from a donor (Br
o
nsted acid).
(via
organic amino compound
)
Biological Role
(s):
human metabolite
Any mammalian metabolite produced during a metabolic reaction in humans (
Homo sapiens
).
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
N
2
-methylguanine (
CHEBI:21818
)
has role
human metabolite (
CHEBI:77746
)
N
2
-methylguanine (
CHEBI:21818
)
is a
methylguanine (
CHEBI:25305
)
N
2
-methylguanine (
CHEBI:21818
)
is a
secondary amino compound (
CHEBI:50995
)
IUPAC Name
2-(methylamino)-1,7-dihydro-6
H
-purin-6-one
Synonyms
Sources
1,7-Dihydro-2-(methylamino)-6H-Purin-6-one
HMDB
2-Methylamino-6-oxopurine
HMDB
2-Methylguanine
HMDB
N-Methyl-Guanine
HMDB
Manual Xref
Database
HMDB0006040
HMDB
View more database links
Registry Numbers
Types
Sources
10030-78-1
CAS Registry Number
ChemIDplus
10734
Reaxys Registry Number
Reaxys
1212208
Reaxys Registry Number
Reaxys
Citations
Types
Sources
17189261
PubMed citation
Europe PMC
19749381
PubMed citation
Europe PMC
23773213
PubMed citation
Europe PMC
24733044
PubMed citation
Europe PMC
4853458
PubMed citation
Europe PMC
5085644
PubMed citation
Europe PMC
7528943
PubMed citation
Europe PMC
Last Modified
12 December 2016