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CHEBI:21818 - N2-methylguanine

ChEBI IDCHEBI:21818
ChEBI NameN2-methylguanine
Stars
ASCII NameN(2)-methylguanine
DefinitionA methylguanine in which the methyl group is located at the N2-position.
Secondary ChEBI IDCHEBI:89472
Last Modified12 December 2016
DownloadsMolfile
FormulaC6H7N5O
Net Charge0
Average Mass165.156
Monoisotopic Mass165.06506
SMILESCNc1nc(=O)c2ncnc2n1
InChIInChI=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)
InChIKeySGSSKEDGVONRGC-UHFFFAOYSA-N
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
Biological Role:
human metabolite  Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
ChEBI Ontology
Outgoing Relation(s)
N2-methylguanine (CHEBI:21818) has role human metabolite (CHEBI:77746)
N2-methylguanine (CHEBI:21818) is a methylguanine (CHEBI:25305)
N2-methylguanine (CHEBI:21818) is a secondary amino compound (CHEBI:50995)
IUPAC Name 
2-(methylamino)-1,7-dihydro-6H-purin-6-one
Synonyms  Source
1,7-Dihydro-2-(methylamino)-6H-Purin-6-oneHMDB
2-Methylamino-6-oxopurineHMDB
2-MethylguanineHMDB
N-Methyl-GuanineHMDB
Manual XrefsDatabases
HMDB0006040HMDB
Registry NumbersSources
Reaxys:10734Reaxys
Reaxys:1212208Reaxys
CAS:10030-78-1ChemIDplus
Citations