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CHEBI:98 - (S)-linalool

ChEBI IDCHEBI:98
ChEBI Name(S)-linalool
Stars
ASCII Name(S)-linalool
DefinitionThe (S)-enantiomer of linalool.
Last Modified23 October 2015
DownloadsMolfile
FormulaC10H18O
Net Charge0
Average Mass154.253
Monoisotopic Mass154.13577
SMILESC=C[C@@](C)(O)CCC=C(C)C
InChIInChI=1S/C10H18O/c1-5-10(4,11)8-6-7-9(2)3/h5,7,11H,1,6,8H2,2-4H3/t10-/m1/s1
InChIKeyCDOSHBSSFJOMGT-SNVBAGLBSA-N
Roles Classification
Biological Roles:
antimicrobial agent  A substance that kills or slows the growth of microorganisms, including bacteria, viruses, fungi and protozoans.
plant metabolite  Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
volatile oil component  Any plant metabolite that is found naturally as a component of a volatile oil.
Application:
fragrance  A substance, extract, or preparation for diffusing or imparting an agreeable or attractive smell.
ChEBI Ontology
Outgoing Relation(s)
(S)-linalool (CHEBI:98) is a linalool (CHEBI:17580)
(S)-linalool (CHEBI:98) is enantiomer of (R)-linalool (CHEBI:28)
Incoming Relation(s)
(R)-linalool (CHEBI:28) is enantiomer of (S)-linalool (CHEBI:98)
IUPAC Name 
(3S)-3,7-dimethylocta-1,6-dien-3-ol
Synonyms  Source
(S)-3,7-dimethyl-1,6-octadien-3-olChemIDplus
(S)-LinalolNIST Chemistry WebBook
(3S)-3,7-dimethyl-1,6-octadien-3-olChemIDplus
(+)-LinaloolKEGG COMPOUND
(S)-(+)-LinaloolKEGG COMPOUND
(3S)-LinaloolKEGG COMPOUND
UniProt Name  Source
(S)-linaloolUniProt
Manual XrefsDatabases
C11389KEGG COMPOUND
C00010301KNApSAcK
Registry NumbersSources
Beilstein:1721486Beilstein
CAS:126-90-9KEGG COMPOUND
CAS:126-90-9ChemIDplus
CAS:126-90-9NIST Chemistry WebBook