CHEBI:53177 - β-cyclocitral

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ChEBI Name β-cyclocitral ChEBI ID CHEBI:53177 ChEBI ASCII Name beta-cyclocitral Definition A monoterpenoid formally derived from citral by cyclisation. It is a volatile compound produced by a cyanobacteria. Stars This entity has been manually annotated by the ChEBI Team. Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C10H16O Net Charge 0 Average Mass 152.23340 Monoisotopic Mass 152.12012 InChI InChI=1S/C10H16O/c1-8-5-4-6-10(2,3)9(8)7-11/h7H,4-6H2,1-3H3 InChIKey MOQGCGNUWBPGTQ-UHFFFAOYSA-N SMILES CC1=C(C=O)C(C)(C)CCC1 Roles Classification Biological Role(s): bacterial metabolite Any prokaryotic metabolite produced during a metabolic reaction in bacteria. View more via ChEBI Ontology ChEBI Ontology Outgoing β-cyclocitral (CHEBI:53177) has role bacterial metabolite (CHEBI:76969) β-cyclocitral (CHEBI:53177) is a monoterpenoid (CHEBI:25409) Incoming hydroxy-β-cyclocitral (CHEBI:53167) has functional parent β-cyclocitral (CHEBI:53177) picrocrocin (CHEBI:53168) has functional parent β-cyclocitral (CHEBI:53177) safranal (CHEBI:53169) has functional parent β-cyclocitral (CHEBI:53177) IUPAC Name 2,6,6-trimethylcyclohex-1-ene-1-carbaldehyde Synonym Source 2,6,6-trimethyl-1-cyclohexene-1-carboxaldehyde ChemIDplus Manual Xref Database HMDB0041011 HMDB View more database links Registry Numbers Types Sources 2042086 Beilstein Registry Number Beilstein 2042086 Reaxys Registry Number Reaxys 432-25-7 CAS Registry Number ChemIDplus Citations Types Sources 18179811 PubMed citation Europe PMC 19936836 PubMed citation Europe PMC 24520691 PubMed citation Europe PMC Last Modified 23 October 2015