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CHEBI:88 - (S)-(−)-citronellol

ChEBI IDCHEBI:88
ChEBI Name(S)-(−)-citronellol
Stars
ASCII Name(S)-(-)-citronellol
DefinitionA citronellol that is oct-6-ene substituted by a hydroxy group at position 1 and methyl groups at positions 3 and 7 (the 3S-enantiomer).
Last Modified18 June 2019
DownloadsMolfile
FormulaC10H20O
Net Charge0
Average Mass156.269
Monoisotopic Mass156.15142
SMILESCC(C)=CCC[C@H](C)CCO
InChIInChI=1S/C10H20O/c1-9(2)5-4-6-10(3)7-8-11/h5,10-11H,4,6-8H2,1-3H3/t10-/m0/s1
InChIKeyQMVPMAAFGQKVCJ-JTQLQIEISA-N
Roles Classification
Biological Role:
plant metabolite  Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
ChEBI Ontology
Outgoing Relation(s)
(S)-(−)-citronellol (CHEBI:88) is a citronellol (CHEBI:50462)
(S)-(−)-citronellol (CHEBI:88) is enantiomer of (R)-(+)-citronellol (CHEBI:10360)
Incoming Relation(s)
(R)-(+)-citronellol (CHEBI:10360) is enantiomer of (S)-(−)-citronellol (CHEBI:88)
IUPAC Name 
(3S)-3,7-dimethyloct-6-en-1-ol
Synonyms  Source
(-)-CitronellolKEGG COMPOUND
(-)-3,7-Dimethyloct-6-en-1-olChemIDplus
l-CitronellolChemIDplus
(S)-3,7-dimethyl-6-octen-1-olNIST Chemistry WebBook
UniProt Name  Source
(S)-(−)-citronellolUniProt
Manual XrefsDatabases
C11386KEGG COMPOUND
LMPR0102010012LIPID MAPS
C00000844KNApSAcK
Registry NumbersSources
Reaxys:1721505Reaxys
CAS:7540-51-4KEGG COMPOUND
CAS:7540-51-4NIST Chemistry WebBook