CHEBI:47856 - citronellal

Main ChEBI Ontology Automatic Xrefs
ChEBI Name citronellal
ChEBI ID CHEBI:47856
Definition A monoterpenoid, the main component of citronella oil which gives it its distinctive lemon aroma.
Stars This entity has been manually annotated by the ChEBI Team.
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Formula C10H18O
Net Charge 0
Average Mass 154.24932
InChI InChI=1S/C10H18O/c1-9(2)5-4-6-10(3)7-8-11/h5,8,10H,4,6-7H2,1-3H3
InChIKey NEHNMFOYXAPHSD-UHFFFAOYSA-N
SMILES [H]C(=O)CC(C)CCC=C(C)C
Metabolite of Species Details
Citrus hystrix (NCBI:170989) Found in exocarp (BTO:0000733). The hexane extract of dried and ground fruit peels See: PubMed
Roles Classification
Biological Role(s): metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
antifungal agent
An antimicrobial agent that destroys fungi by suppressing their ability to grow or reproduce.
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ChEBI Ontology
Outgoing citronellal (CHEBI:47856) has role antifungal agent (CHEBI:35718)
citronellal (CHEBI:47856) has role metabolite (CHEBI:25212)
citronellal (CHEBI:47856) is a monoterpenoid (CHEBI:25409)
Incoming hydroxycitronellal (CHEBI:53459) has functional parent citronellal (CHEBI:47856)
(R)-(+)-citronellal (CHEBI:299) is a citronellal (CHEBI:47856)
(S)-(−)-citronellal (CHEBI:368) is a citronellal (CHEBI:47856)
IUPAC Name
3,7-dimethyloct-6-enal
Synonyms Sources
2,3-dihydrocitral NIST Chemistry WebBook
3,7-dimethyl-6-octen-1-al ChemIDplus
3,7-dimethyl-6-octenal ChemIDplus
β-citronellal NIST Chemistry WebBook
Database Links Databases
C17384 KEGG COMPOUND
Citronellal Wikipedia
View more database links
Registry Numbers Types Sources
106-23-0 CAS Registry Number NIST Chemistry WebBook
106-23-0 CAS Registry Number ChemIDplus
1209447 Beilstein Registry Number Beilstein
1521962 Gmelin Registry Number Gmelin
1720789 Beilstein Registry Number Beilstein
Citations Waiting for Citations Types Sources
10771133 PubMed citation CiteXplore
22382815 PubMed citation CiteXplore
22559719 PubMed citation CiteXplore
22972327 PubMed citation CiteXplore
23047114 PubMed citation CiteXplore
23064632 PubMed citation CiteXplore
23065287 PubMed citation CiteXplore
23071142 PubMed citation CiteXplore
9540973 PubMed citation CiteXplore
Last Modified
28 July 2014