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CHEBI:78673 - cumene hydroperoxide

ChEBI IDCHEBI:78673
ChEBI Namecumene hydroperoxide
Stars
DefinitionA peroxol that is cumene in which the α-hydrogen is replaced by a hydroperoxy group.
Last Modified2 April 2020
SubmitterSteve
DownloadsMolfile
FormulaC9H12O2
Net Charge0
Average Mass152.193
Monoisotopic Mass152.08373
SMILESCC(C)(OO)c1ccccc1
InChIInChI=1S/C9H12O2/c1-9(2,11-10)8-6-4-3-5-7-8/h3-7,10H,1-2H3
InChIKeyYQHLDYVWEZKEOX-UHFFFAOYSA-N
Wikipedia
Species of MetaboliteComponentSourceComments
Mycoplasma genitalium (ncbitaxon:2097) - PubMed (22817898)
Roles Classification
Chemical Roles:
oxidising agent  A substance that removes electrons from another reactant in a redox reaction.
environmental contaminant  Any minor or unwanted substance introduced into the environment that can have undesired effects.
Biological Role:
Mycoplasma genitalium metabolite  Any bacterial metabolite produced during a metabolic reaction in Mycoplasma genitalium.
ChEBI Ontology
Outgoing Relation(s)
cumene hydroperoxide (CHEBI:78673) has parent hydride cumene (CHEBI:34656)
cumene hydroperoxide (CHEBI:78673) has role Mycoplasma genitalium metabolite (CHEBI:131604)
cumene hydroperoxide (CHEBI:78673) has role environmental contaminant (CHEBI:78298)
cumene hydroperoxide (CHEBI:78673) has role oxidising agent (CHEBI:63248)
cumene hydroperoxide (CHEBI:78673) is a peroxol (CHEBI:35924)
Synonyms  Source
1-Methyl-1-phenylethyl hydroperoxideNIST Chemistry WebBook
7-Cumyl hydroperoxideChemIDplus
alpha,alpha-Dimethylbenzyl hydroperoxideChemIDplus
CHPChEBI
Cumenyl hydroperoxideChemIDplus
CumolhydroperoxidChemIDplus
UniProt Name  Source
cumene hydroperoxideUniProt
Manual XrefsDatabases
CPD0-1449MetaCyc
Cumene_hydroperoxideWikipedia
Registry NumbersSources
Reaxys:1908117Reaxys
CAS:80-15-9NIST Chemistry WebBook
CAS:80-15-9ChemIDplus
Citations