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CHEBI:23316 - citral

ChEBI IDCHEBI:23316
ChEBI Namecitral
Stars
DefinitionAn enal that consists of octa-2,6-dienal bearing methyl substituents at positions 3 and 7. A mixture of the two geometric isomers geranial and neral, it is the major constituent (75-85%) of oil of lemon grass, the volatile oil of Cymbopogon citratus, or of C. flexuosus. It also occurs in oils of verbena, lemon, and orange.
Last Modified2 July 2019
DownloadsMolfile
FormulaC10H16O
Net Charge0
Average Mass152.237
Monoisotopic Mass152.12012
SMILESCC(C)=CCCC(C)=CC=O
InChIInChI=1S/C10H16O/c1-9(2)5-4-6-10(3)7-8-11/h5,7-8H,4,6H2,1-3H3
InChIKeyWTEVQBCEXWBHNA-UHFFFAOYSA-N
Wikipedia
Roles Classification
Biological Roles:
flavouring agent  A food additive that is used to added improve the taste or odour of a food.
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
EC 1.2.3.1 (aldehyde oxidase) inhibitor  An EC 1.2.3.* (oxidoreductase acting on donor aldehyde/oxo group with oxygen as acceptor) inhibitor which interferes with the action of aldehyde oxidase (EC 1.2.3.1).
Applications:
flavouring agent  A food additive that is used to added improve the taste or odour of a food.
fragrance  A substance, extract, or preparation for diffusing or imparting an agreeable or attractive smell.
insecticide  Strictly, a substance intended to kill members of the class Insecta. In common usage, any substance used for preventing, destroying, repelling or controlling insects.
ChEBI Ontology
Outgoing Relation(s)
citral (CHEBI:23316) has part geranial (CHEBI:16980)
citral (CHEBI:23316) has part neral (CHEBI:29020)
citral (CHEBI:23316) has role EC 1.2.3.1 (aldehyde oxidase) inhibitor (CHEBI:62872)
citral (CHEBI:23316) has role flavouring agent (CHEBI:35617)
citral (CHEBI:23316) has role fragrance (CHEBI:48318)
citral (CHEBI:23316) has role insecticide (CHEBI:24852)
citral (CHEBI:23316) has role metabolite (CHEBI:25212)
citral (CHEBI:23316) is a mixture (CHEBI:60004)
Incoming Relation(s)
citral dimethyl acetal (CHEBI:132331) has functional parent citral (CHEBI:23316)
IUPAC Name 
3,7-dimethylocta-2,6-dienal
Synonyms  Source
3,7-dimethyl-2,6-octadienalChEBI
cis,trans-CitralNIST Chemistry WebBook
UniProt Name  Source
citralUniProt
Manual XrefsDatabases
CitralWikipedia
US2661368Patent
Registry NumbersSources
Beilstein:1721871Beilstein
Reaxys:970018Reaxys
CAS:5392-40-5NIST Chemistry WebBook
Citations