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CHEBI:17580 - linalool

ChEBI IDCHEBI:17580
ChEBI Namelinalool
Stars
DefinitionA 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.
Secondary ChEBI IDsCHEBI:1417, CHEBI:11712, CHEBI:19917
Last Modified14 February 2017
DownloadsMolfile
FormulaC10H18O
Net Charge0
Average Mass154.253
Monoisotopic Mass154.13577
SMILESC=CC(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
InChIKeyCDOSHBSSFJOMGT-UHFFFAOYSA-N
Wikipedia
Species of MetaboliteComponentSourceComments
Ocimum canum (ncbitaxon:204141) - PubMed (24758511)
Roles Classification
Biological Roles:
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:
fragrance  A substance, extract, or preparation for diffusing or imparting an agreeable or attractive smell.
ChEBI Ontology
Outgoing Relation(s)
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 Relation(s)
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  Source
3,7-Dimethylocta-1,6-dien-3-olKEGG COMPOUND
LinaloolKEGG COMPOUND
2,6-dimethylocta-2,7-dien-6-olNIST Chemistry WebBook
linalyl alcoholChemIDplus
β-linaloolNIST Chemistry WebBook
UniProt Name  Source
linaloolUniProt
Manual XrefsDatabases
C03985KEGG COMPOUND
LMPR0102010004LIPID MAPS
HMDB0036100HMDB
LinaloolWikipedia
C00003047KNApSAcK
2150VSDB
2150BPDB
Registry NumbersSources
Gmelin:406448Gmelin
Reaxys:1362385Reaxys
CAS:78-70-6KEGG COMPOUND
CAS:78-70-6ChemIDplus
CAS:78-70-6NIST Chemistry WebBook
Citations