CHEBI:78673 - cumene hydroperoxide

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ChEBI Name cumene hydroperoxide
ChEBI ID CHEBI:78673
Definition A peroxol that is cumene in which the α-hydrogen is replaced by a hydroperoxy group.
Stars This entity has been manually annotated by the ChEBI Team.
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Formula C9H12O2
Net Charge 0
Average Mass 152.19040
Monoisotopic Mass 152.084
InChI InChI=1S/C9H12O2/c1-9(2,11-10)8-6-4-3-5-7-8/h3-7,10H,1-2H3
InChIKey YQHLDYVWEZKEOX-UHFFFAOYSA-N
SMILES CC(C)(OO)c1ccccc1
Metabolite of Species Details
Mycoplasma genitalium (NCBI:txid2097) See: PubMed
Roles Classification
Chemical Role(s): 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(s): Mycoplasma genitalium metabolite
Any bacterial metabolite produced during a metabolic reaction in Mycoplasma genitalium.
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ChEBI Ontology
Outgoing 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 Sources
1-Methyl-1-phenylethyl hydroperoxide NIST Chemistry WebBook
7-Cumyl hydroperoxide ChemIDplus
alpha,alpha-Dimethylbenzyl hydroperoxide ChemIDplus
α-Cumene hydroperoxide NIST Chemistry WebBook
α-Cumyl hydroperoxide NIST Chemistry WebBook
CHP
Note: (2016-03-23) Ambiguous!
ChEBI
Cumenyl hydroperoxide ChemIDplus
Cumolhydroperoxid ChemIDplus
Cumyl hydroperoxide ChemIDplus
Hydroperoxyde de cumene ChemIDplus
Hydroperoxyde de cumyle ChemIDplus
Isopropylbenzene hydroperoxide NIST Chemistry WebBook
Manual Xrefs Databases
CPD0-1449 MetaCyc
Cumene_hydroperoxide Wikipedia
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Registry Numbers Types Sources
1908117 Reaxys Registry Number Reaxys
80-15-9 CAS Registry Number NIST Chemistry WebBook
80-15-9 CAS Registry Number ChemIDplus
Citations Waiting for Citations Types Sources
23357941 PubMed citation Europe PMC
23707950 PubMed citation Europe PMC
23767299 PubMed citation Europe PMC
24073228 PubMed citation Europe PMC
24492382 PubMed citation Europe PMC
26985019 PubMed citation Europe PMC
Last Modified
23 March 2016