EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:2767 - Aphylline

ChEBI IDCHEBI:2767
ChEBI NameAphylline
Stars
Last Modified28 July 2014
DownloadsMolfile
FormulaC15H24N2O
Net Charge0
Average Mass248.370
Monoisotopic Mass248.18886
SMILES[H][C@@]12CCCCN1C[C@@H]1C[C@H]2C(=O)N2CCCC[C@]12[H]
InChIInChI=1S/C15H24N2O/c18-15-12-9-11(13-5-2-4-8-17(13)15)10-16-7-3-1-6-14(12)16/h11-14H,1-10H2/t11?,12?,13-,14+/m1/s1
InChIKeyYQMWQSMYVPLYDI-PQAZSJQKSA-N
Roles Classification
Biological Role:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
ChEBI Ontology
Outgoing Relation(s)
Aphylline (CHEBI:2767) is a quinolizidine alkaloid (CHEBI:26515)
Synonym  Source
AphyllineKEGG COMPOUND
Manual XrefsDatabases
C10752KEGG COMPOUND
C00002209KNApSAcK
Registry NumbersSources
CAS:577-37-7KEGG COMPOUND