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CHEBI:16980 - geranial

ChEBI IDCHEBI:16980
ChEBI Namegeranial
Stars
DefinitionA monoterpenoid that is (2E,6E)-octa-2,6-dienal substituted by methyl groups at positions 3 and 7.
Secondary ChEBI IDsCHEBI:5327, CHEBI:14296, CHEBI:24218
Last Modified28 October 2020
DownloadsMolfile
FormulaC10H16O
Net Charge0
Average Mass152.237
Monoisotopic Mass152.12012
SMILESCC(C)=CCC/C(C)=C/C=O
InChIInChI=1S/C10H16O/c1-9(2)5-4-6-10(3)7-8-11/h5,7-8H,4,6H2,1-3H3/b10-7+
InChIKeyWTEVQBCEXWBHNA-JXMROGBWSA-N
Roles Classification
Biological Roles:
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 plant metabolite that is found naturally as a component of a volatile oil.
ChEBI Ontology
Outgoing Relation(s)
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)
geranial (CHEBI:16980) is a polyprenal (CHEBI:137934)
Incoming Relation(s)
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  Source
GeranialKEGG COMPOUND
trans-CitralKEGG COMPOUND
citral AChEBI
(E)-CitralChemIDplus
(E)-GeranialChemIDplus
alpha-CitralChemIDplus
UniProt Name  Source
(2E)-geranialUniProt
Manual XrefsDatabases
C01499KEGG COMPOUND
LMPR0102010003LIPID MAPS
C00003035KNApSAcK
HMDB0035078HMDB
GERANIALMetaCyc
Registry NumbersSources
Reaxys:1721873Reaxys
CAS:141-27-5KEGG COMPOUND
CAS:5392-40-5KEGG COMPOUND
CAS:141-27-5ChemIDplus
Citations