CHEBI:17580 - linalool

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ChEBI Name linalool
ChEBI ID CHEBI:17580
Definition A monoterpenoid that is octa-1,6-diene substituted by methyl groups at positions 3 and 7 and a hydroxy group at position 3. It has been isolated from plants like Ocimum canum.
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:1417, CHEBI:11712, CHEBI:19917
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Formula C10H18O
Net Charge 0
Average Mass 154.24930
Monoisotopic Mass 154.13577
InChI InChI=1S/C10H18O/c1-5-10(4,11)8-6-7-9(2)3/h5,7,11H,1,6,8H2,2-4H3
InChIKey CDOSHBSSFJOMGT-UHFFFAOYSA-N
SMILES CC(C)=CCCC(C)(O)C=C
Metabolite of Species Details
Ocimum canum (NCBI:txid204141) See: PubMed
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.
volatile oil component
Any plant metabolite that is found naturally as a component of a volatile oil.
antimicrobial agent
A substance that kills or slows the growth of microorganisms, including bacteria, viruses, fungi and protozoans.
Application(s): fragrance
A substance, extract, or preparation for diffusing or imparting an agreeable or attractive smell.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing linalool (CHEBI:17580) has role antimicrobial agent (CHEBI:33281)
linalool (CHEBI:17580) has role fragrance (CHEBI:48318)
linalool (CHEBI:17580) has role plant metabolite (CHEBI:76924)
linalool (CHEBI:17580) has role volatile oil component (CHEBI:27311)
linalool (CHEBI:17580) is a monoterpenoid (CHEBI:25409)
linalool (CHEBI:17580) is a tertiary alcohol (CHEBI:26878)
Incoming 3,7-dimethylocta-1,6-dien-3-yl acetate (CHEBI:78333) has functional parent linalool (CHEBI:17580)
linalool hydroperoxide (CHEBI:134523) has functional parent linalool (CHEBI:17580)
linaloyl diphosphate (CHEBI:6468) has functional parent linalool (CHEBI:17580)
(R)-linalool (CHEBI:28) is a linalool (CHEBI:17580)
(S)-linalool (CHEBI:98) is a linalool (CHEBI:17580)
IUPAC Name
3,7-dimethylocta-1,6-dien-3-ol
Synonyms Sources
2,6-dimethylocta-2,7-dien-6-ol NIST Chemistry WebBook
3,7-Dimethylocta-1,6-dien-3-ol KEGG COMPOUND
β-linalool NIST Chemistry WebBook
Linalool KEGG COMPOUND
linalool UniProt
linalyl alcohol ChemIDplus
Manual Xrefs Databases
2150 BPDB
2150 VSDB
C00003047 KNApSAcK
C03985 KEGG COMPOUND
HMDB0036100 HMDB
Linalool Wikipedia
LMPR0102010004 LIPID MAPS
View more database links
Registry Numbers Types Sources
1362385 Reaxys Registry Number Reaxys
406448 Gmelin Registry Number Gmelin
78-70-6 CAS Registry Number ChemIDplus
78-70-6 CAS Registry Number NIST Chemistry WebBook
Citations Waiting for Citations Types Sources
18695915 PubMed citation Europe PMC
24570447 PubMed citation Europe PMC
24758511 PubMed citation Europe PMC
Last Modified
14 February 2017