CHEBI:191229 - 7,9-Dimethylguanine

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name 7,9-Dimethylguanine
ChEBI ID CHEBI:191229
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C7H11N5O
Net Charge 0
Average Mass 181.199
Monoisotopic Mass 181.09636
InChI InChI=1S/C7H11N5O/c1-11-3-12(2)5-4(11)6(13)10-7(8)9-5/h3H2,1-2H3,(H3,8,9,10,13)
InChIKey KKQKBURHSNOSCZ-UHFFFAOYSA-N
SMILES O=C1N=C(NC=2N(CN(C21)C)C)N
Metabolite of Species Details
Homo sapiens (NCBI:txid9606) Found in hTERT-RPE1 cell (BTO:0004790). See: MetaboLights Study
ChEBI Ontology
Outgoing 7,9-Dimethylguanine (CHEBI:191229) is a imidazopyrimidine (CHEBI:35875)
IUPAC Name
2-amino-7,9-dimethyl-3,8-dihydropurin-6-one
Manual Xref Database
2284790 ChemSpider
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Registry Number Type Source
55235-22-8 CAS Registry Number ChemIDplus