CHEBI:177659 - 6-Benzamidopurine

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 6-Benzamidopurine
ChEBI ID CHEBI:177659
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C12H9N5O
Net Charge 0
Average Mass 239.238
Monoisotopic Mass 239.08071
InChI InChI=1S/C12H9N5O/c18-12(8-4-2-1-3-5-8)17-11-9-10(14-6-13-9)15-7-16-11/h1-7H,(H2,13,14,15,16,17,18)
InChIKey QQJXZVKXNSFHRI-UHFFFAOYSA-N
SMILES O=C(NC1=NC=NC=2N=CNC12)C3=CC=CC=C3
Metabolite of Species Details
Sus scrofa (NCBI:txid9823) Found in sausage (ENVO:00002166). See: MetaboLights Study
ChEBI Ontology
Outgoing 6-Benzamidopurine (CHEBI:177659) is a purines (CHEBI:26401)
IUPAC Name
N-(7H-purin-6-yl)benzamide
Manual Xref Database
87630 ChemSpider
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Registry Number Type Source
4005-49-6 CAS Registry Number ChemIDplus