EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:177625 - 6-Chloro-1H-purine

ChEBI IDCHEBI:177625
ChEBI Name6-Chloro-1H-purine
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC5H3ClN4
Net Charge0
Average Mass154.560
Monoisotopic Mass154.00462
SMILESClc1ncnc2ncnc12
InChIInChI=1S/C5H3ClN4/c6-4-3-5(9-1-7-3)10-2-8-4/h1-2H,(H,7,8,9,10)
InChIKeyZKBQDFAWXLTYKS-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Sus scrofa (ncbitaxon:9823) Sausage (ENVO:00002166) MetaboLights (MTBLS2871)
ChEBI Ontology
Outgoing Relation(s)
6-Chloro-1H-purine (CHEBI:177625) is a purines (CHEBI:26401)
IUPAC Name 
6-chloro-7H-purine
Manual XrefsDatabases
ES4PDBeChem
4514254ChemSpider
Registry NumbersSources
CAS:87-42-3ChemIDplus