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

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 2-imino-3-methyl-1,2,3,9-tetrahydro-6H-purin-6-one
ChEBI ID CHEBI:46893
ChEBI ASCII Name 2-imino-3-methyl-1,2,3,9-tetrahydro-6H-purin-6-one
Definition A 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.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
more structures >>
Formula C6H7N5O
Net Charge 0
Average Mass 165.15288
Monoisotopic Mass 165.06506
InChI InChI=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)
InChIKey XHBSBNYEHDQRCP-UHFFFAOYSA-N
SMILES Cn1c2[nH]cnc2c(=O)[nH]c1=N
Roles Classification
Biological Role(s): human metabolite
Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
(via 3-methylguanine )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 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 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 Xref Database
HMDB0001566 HMDB
View more database links
Registry Numbers Types Sources
4424493 Reaxys Registry Number Reaxys
4424493 Beilstein Registry Number Beilstein
Citation Waiting for Citations Type Source
9069642 PubMed citation Europe PMC
Last Modified
28 August 2014