CHEBI:88 - (S)-(−)-citronellol

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ChEBI Name (S)-(−)-citronellol
ChEBI ID CHEBI:88
ChEBI ASCII Name (S)-(-)-citronellol
Definition A 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).
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C10H20O
Net Charge 0
Average Mass 156.26520
Monoisotopic Mass 156.15142
InChI InChI=1S/C10H20O/c1-9(2)5-4-6-10(3)7-8-11/h5,10-11H,4,6-8H2,1-3H3/t10-/m0/s1
InChIKey QMVPMAAFGQKVCJ-JTQLQIEISA-N
SMILES C[C@H](CCO)CCC=C(C)C
Roles Classification
Biological Role(s): plant metabolite
Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
(via citronellol )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing (S)-(−)-citronellol (CHEBI:88) is a citronellol (CHEBI:50462)
(S)-(−)-citronellol (CHEBI:88) is enantiomer of (R)-(+)-citronellol (CHEBI:10360)
Incoming (R)-(+)-citronellol (CHEBI:10360) is enantiomer of (S)-(−)-citronellol (CHEBI:88)
IUPAC Name
(3S)-3,7-dimethyloct-6-en-1-ol
Synonyms Sources
(-)-3,7-Dimethyloct-6-en-1-ol ChemIDplus
(-)-Citronellol KEGG COMPOUND
(S)-(−)-citronellol UniProt
(S)-3,7-dimethyl-6-octen-1-ol NIST Chemistry WebBook
l-Citronellol ChemIDplus
Manual Xrefs Databases
C00000844 KNApSAcK
C11386 KEGG COMPOUND
LMPR0102010012 LIPID MAPS
View more database links
Registry Numbers Types Sources
1721505 Reaxys Registry Number Reaxys
1721505 Beilstein Registry Number Beilstein
7540-51-4 CAS Registry Number KEGG COMPOUND
7540-51-4 CAS Registry Number NIST Chemistry WebBook
Last Modified
18 June 2019