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CHEBI:134525 - linalool 7-hydroperoxide

ChEBI IDCHEBI:134525
ChEBI Namelinalool 7-hydroperoxide
Stars
DefinitionLinalool hydroperoxide where the hydroperoxy group is located at position 7 of the linalool skeleton; one of the two main allergenic hydroperoxides formed by autoxidation of linalool.
Last Modified14 February 2017
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC10H18O3
Net Charge0
Average Mass186.251
Monoisotopic Mass186.12559
SMILESC=CC(C)(O)C/C=C/C(C)(C)OO
InChIInChI=1S/C10H18O3/c1-5-10(4,11)8-6-7-9(2,3)13-12/h5-7,11-12H,1,8H2,2-4H3/b7-6+
InChIKeyKPPNFQDHKXOGMD-VOTSOKGWSA-N
Roles Classification
Biological Roles:
allergen  A chemical compound, or part thereof, which causes the onset of an allergic reaction by interacting with any of the molecular pathways involved in an allergy.
allergen  A chemical compound, or part thereof, which causes the onset of an allergic reaction by interacting with any of the molecular pathways involved in an allergy.
ChEBI Ontology
Outgoing Relation(s)
linalool 7-hydroperoxide (CHEBI:134525) has role allergen (CHEBI:50904)
linalool 7-hydroperoxide (CHEBI:134525) is a linalool hydroperoxide (CHEBI:134523)
IUPAC Name 
(5E)-7-hydroperoxy-3,7-dimethylocta-1,5-dien-3-ol
Synonyms  Source
linalool-7-OOHChEBI
7-hydroperoxylinaloolChEBI
Lin-7-OOHChEBI
Registry NumbersSources
Reaxys:10154154Reaxys
Citations