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CHEBI:134524 - linalool 6-hydroperoxide

ChEBI IDCHEBI:134524
ChEBI Namelinalool 6-hydroperoxide
Stars
DefinitionLinalool hydroperoxide where the hydroperoxy group is located at position 6 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(\OO)C(C)C
InChIInChI=1S/C10H18O3/c1-5-10(4,11)7-6-9(13-12)8(2)3/h5-6,8,11-12H,1,7H2,2-4H3/b9-6-
InChIKeyUVKPTCRFZNDVBI-TWGQIWQCSA-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 6-hydroperoxide (CHEBI:134524) has role allergen (CHEBI:50904)
linalool 6-hydroperoxide (CHEBI:134524) is a linalool hydroperoxide (CHEBI:134523)
IUPAC Name 
(5Z)-6-hydroperoxy-3,7-dimethylocta-1,5-dien-3-ol
Synonyms  Source
6-hydroperoxylinaloolChEBI
Lin-6-OOHChEBI
linalool-6-OOHChEBI
Citations