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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

ChEBI Ontology
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