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CHEBI:368 - (S)-(−)-citronellal

Default Structure
ChEBI IDCHEBI:368
ChEBI Name(S)-(−)-citronellal
Stars
ASCII Name(S)-(-)-citronellal
DefinitionThe (3S)-stereoisomer of 3,7-dimethyloct-6-enal (citronellal).
Last Modified3 September 2020
DownloadsMolfile
FormulaC10H18O
Net Charge0
Average Mass154.253
Monoisotopic Mass154.13577
SMILES[H]C(=O)C[C@@H](C)CCC=C(C)C
InChIInChI=1S/C10H18O/c1-9(2)5-4-6-10(3)7-8-11/h5,8,10H,4,6-7H2,1-3H3/t10-/m0/s1
InChIKeyNEHNMFOYXAPHSD-JTQLQIEISA-N
Roles Classification
Biological Roles:
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.
ChEBI Ontology
Outgoing Relation(s)
(S)-(−)-citronellal (CHEBI:368) is a citronellal (CHEBI:47856)
(S)-(−)-citronellal (CHEBI:368) is enantiomer of (R)-(+)-citronellal (CHEBI:299)
Incoming Relation(s)
(S)-citronellalthiosemicarbazonate (CHEBI:156466) has functional parent (S)-(−)-citronellal (CHEBI:368)
(R)-(+)-citronellal (CHEBI:299) is enantiomer of (S)-(−)-citronellal (CHEBI:368)
IUPAC Name 
(3S)-3,7-dimethyloct-6-enal
Synonyms  Source
(3S)-3,7-dimethyl-6-octenalChemIDplus
(3S)-(−)-citronellalNIST Chemistry WebBook
(S)-3,7-dimethyl-6-octenalChemIDplus
(S)-3,7-Dimethyloct-6-enalKEGG COMPOUND
(S)-(-)-CitronellalKEGG COMPOUND
UniProt Name  Source
(S)-(−)-citronellalUniProt
Manual XrefsDatabases
C00010309KNApSAcK
C11384KEGG COMPOUND
LMPR0102010011LIPID MAPS
Registry NumbersSources
Beilstein:1720790Beilstein
Gmelin:2038127Gmelin
Beilstein:4654383Beilstein
CAS:5949-05-3KEGG COMPOUND
CAS:5949-05-3NIST Chemistry WebBook
CAS:5949-05-3ChemIDplus