CHEBI:16980 - geranial

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ChEBI Name geranial
ChEBI ID CHEBI:16980
Definition A monoterpenoid that is (2E,6E)-octa-2,6-dienal substituted by methyl groups at positions 3 and 7.
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:5327, CHEBI:14296, CHEBI:24218
Supplier Information
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Formula C10H16O
Net Charge 0
Average Mass 152.23340
Monoisotopic Mass 152.120
InChI InChI=1S/C10H16O/c1-9(2)5-4-6-10(3)7-8-11/h5,7-8H,4,6H2,1-3H3/b10-7+
InChIKey WTEVQBCEXWBHNA-JXMROGBWSA-N
SMILES CC(C)=CCC\C(C)=C\C=O
Roles Classification
Biological Role(s): plant metabolite
Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
volatile oil component
Any metabolite that is found naturally as a component of a volatile oil.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing geranial (CHEBI:16980) has role plant metabolite (CHEBI:76924)
geranial (CHEBI:16980) has role volatile oil component (CHEBI:27311)
geranial (CHEBI:16980) is a enal (CHEBI:51688)
geranial (CHEBI:16980) is a monoterpenoid (CHEBI:25409)
Incoming 2,3-epoxygerianial (CHEBI:67258) has functional parent geranial (CHEBI:16980)
citral (CHEBI:23316) has part geranial (CHEBI:16980)
IUPAC Name
(2E)-3,7-dimethylocta-2,6-dienal
Synonyms Sources
(E)-Citral ChemIDplus
(E)-Geranial ChemIDplus
alpha-Citral ChemIDplus
citral A ChEBI
Geranial KEGG COMPOUND
geranial UniProt
lemonal ChEBI
neral ChEBI
trans-Citral KEGG COMPOUND
Database Links Databases
C00003035 KNApSAcK
C01499 KEGG COMPOUND
GERANIAL MetaCyc
HMDB35078 HMDB
LMPR0102010003 LIPID MAPS
View more database links
Registry Numbers Types Sources
141-27-5 CAS Registry Number KEGG COMPOUND
141-27-5 CAS Registry Number ChemIDplus
1721873 Reaxys Registry Number Reaxys
5392-40-5 CAS Registry Number KEGG COMPOUND
Citations Waiting for Citations Types Sources
23938144 PubMed citation Europe PMC
24682420 PubMed citation Europe PMC
Last Modified
23 October 2015