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Automated Model Construction and Genome Annotation for Large-Scale Metabolic Networks

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The Swiss Initiative in Systems Biology

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tert-butyl hydroperoxide

Properties

Image

Occurences in reactions

MNX_ID

MNXM9135

Image of MNXM9135

	#reac
in my sandbox	0
in MNXref (generic)	11
in models (compartimentalized)	0

formula

C₄H₁₀O₂

charge

0

mass

90.06808

reference

InChIKey

CIHOLLKRGTVIJN-UHFFFAOYSA-N

InChI

InChI=1S/C4H10O2/c1-4(2,3)6-5/h5H,1-3H3

SMILES

CC(C)(C)OO

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:64090 chebi:64090	tert-butyl hydroperoxide 1,1-Dimethylethyl hydroperoxide 2-Hydroperoxy-2-methylpropane Dimethylethyl hydroperoxide Hydroperoxyde de butyle tertiaire TBHP Tertiary-butyl hydroperoxide t-Butylhydroperoxide t-butyl hydroperoxide tert-Butylhydroperoxide
sabiork.compound:20877 sabiorkM:20877	t-Butylhydroperoxide
seed.compound:cpd22437 seedM:cpd22437	t-butyl hydroperoxide tertiary butyl hydroperoxide
metacyc.compound:BUTYL-HYDROPEROXIDE metacycM:BUTYL-HYDROPEROXIDE	tert-butyl hydroperoxide t-butyl hydroperoxide tertiary butyl hydroperoxide
seedM:M_cpd22437	secondary/obsolete/fantasy identifier