Services
Research
Training
Industry
About us
ChEBI
Examples:
iron*
,
InChI=1S/CH4O/c1-2/h2H,1H3
,
caffeine
Advanced
Home
Advanced Search
Browse
Documentation
Download
Tools
About ChEBI
Submit
Contact us
DiNA
Statistics
Entity of the Month
Periodic Table
Ontology
Train online
User Manual
Annotation Manual
Developer Manual
FAQ's
BiNChE
libChEBI
Web Services
ChEBI
> Main
CHEBI:47856 - citronellal
Main
ChEBI Ontology
Automatic Xrefs
Reactions
Pathways
Models
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.
Supplier Information
Download
Molfile
XML
SDF
Find compounds which contain this structure
Find compounds which resemble this structure
Take structure to the Advanced Search
Wikipedia
License
Read full article at Wikipedia
Formula
C10H18O
Net Charge
0
Average Mass
154.24932
Monoisotopic Mass
154.13577
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:txid170989)
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.
View more via ChEBI Ontology
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
aldehyde (
CHEBI:17478
)
citronellal (
CHEBI:47856
)
is a
monoterpenoid (
CHEBI:25409
)
Incoming
citronellic acid (
CHEBI:80507
)
has functional parent
citronellal (
CHEBI:47856
)
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
Manual Xrefs
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
Types
Sources
10771133
PubMed citation
Europe PMC
22382815
PubMed citation
Europe PMC
22559719
PubMed citation
Europe PMC
22972327
PubMed citation
Europe PMC
23047114
PubMed citation
Europe PMC
23064632
PubMed citation
Europe PMC
23065287
PubMed citation
Europe PMC
23071142
PubMed citation
Europe PMC
9540973
PubMed citation
Europe PMC
Last Modified
19 August 2019