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CHEBI:59833 - agrocybin

ChEBI IDCHEBI:59833
ChEBI Nameagrocybin
Stars
DefinitionA triyne amide produced by the Brazilian fungus Agrocybe perfecta (Basidiomycota).
Last Modified7 March 2018
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC9H7NO
Net Charge0
Average Mass145.161
Monoisotopic Mass145.05276
SMILESCCC#CC#CC#CC(N)=O
InChIInChI=1S/C9H7NO/c1-2-3-4-5-6-7-8-9(10)11/h2H2,1H3,(H2,10,11)
InChIKeyICLHBUBHBUZPFH-UHFFFAOYSA-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)
agrocybin (CHEBI:59833) has role metabolite (CHEBI:25212)
agrocybin (CHEBI:59833) is a primary carboxamide (CHEBI:140324)
agrocybin (CHEBI:59833) is a triyne (CHEBI:59832)
agrocybin (CHEBI:59833) is a ynamide (CHEBI:51752)
IUPAC Name 
8-hydroxyocta-2,4,6-triynamide
Synonyms  Source
8-hydroxyocta-2,4,6-trynoic acid amideChEBI
8-hydroxy-2,4,6-octatriynamideChEBI
Registry NumbersSources
Beilstein:1761957Beilstein
CAS:544-44-5ChemIDplus