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CHEBI:46893 - 2-imino-3-methyl-1,2,3,9-tetrahydro-6H-purin-6-one

ChEBI IDCHEBI:46893
ChEBI Name2-imino-3-methyl-1,2,3,9-tetrahydro-6H-purin-6-one
Stars
ASCII Name2-imino-3-methyl-1,2,3,9-tetrahydro-6H-purin-6-one
DefinitionA 3-methylguanine that is 1,2,3,9-tetrahydro-6H-purin-6-one substituted by an imino group at position 2 and a methyl group at position 3.
Last Modified28 August 2014
SubmitterKirill Degtyarenko
DownloadsMolfile
FormulaC6H7N5O
Net Charge0
Average Mass165.156
Monoisotopic Mass165.06506
SMILESCn1c(=N)nc(=O)c2ncnc21
InChIInChI=1S/C6H7N5O/c1-11-4-3(8-2-9-4)5(12)10-6(11)7/h2H,1H3,(H,8,9)(H2,7,10,12)
InChIKeyXHBSBNYEHDQRCP-UHFFFAOYSA-N
Roles Classification
Biological Role:
human metabolite  Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
ChEBI Ontology
Outgoing Relation(s)
2-imino-3-methyl-1,2,3,9-tetrahydro-6H-purin-6-one (CHEBI:46893) is a 3-methylguanine (CHEBI:1604)
2-imino-3-methyl-1,2,3,9-tetrahydro-6H-purin-6-one (CHEBI:46893) is tautomer of 2-amino-3-methyl-3,7-dihydro-6H-purin-6-one (CHEBI:27564)
2-imino-3-methyl-1,2,3,9-tetrahydro-6H-purin-6-one (CHEBI:46893) is tautomer of 2-amino-3-methyl-3,9-dihydro-6H-purin-6-one (CHEBI:46892)
Incoming Relation(s)
2-amino-3-methyl-3,7-dihydro-6H-purin-6-one (CHEBI:27564) is tautomer of 2-imino-3-methyl-1,2,3,9-tetrahydro-6H-purin-6-one (CHEBI:46893)
2-amino-3-methyl-3,9-dihydro-6H-purin-6-one (CHEBI:46892) is tautomer of 2-imino-3-methyl-1,2,3,9-tetrahydro-6H-purin-6-one (CHEBI:46893)
IUPAC Name 
2-imino-3-methyl-1,2,3,9-tetrahydro-6H-purin-6-one
Manual XrefsDatabases
HMDB0001566HMDB
Registry NumbersSources
Reaxys:4424493Reaxys
Citations