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

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methyl tert-butyl ether

	Properties	Image
MNX_ID	MNXM61811
reference	chebi:27642
formula	C₅H₁₂O
global charge	0
mol weight	88.15
InChIKey	BZLVMXJERCGZMT-UHFFFAOYSA-N
InChI	InChI=1S/C5H12O/c1-5(2,3)6-4/h1-4H3
SMILES	COC(C)(C)C

MNX internals

InChI (mnx)	InChI=1/C5H12O/c1-5(2,3)6-4/h1-4H3
SMILES (mnx)	[CH3:1][C:5]([CH3:2])([CH3:3])[O:6][CH3:4]

Parent-child relations graph

Occurences in reactions	#reac
in my sandbox	0
in MNXref (generic)	1
in models (compartimentalized)	0

Similar chemical compounds in external resources
Identifier	Description
CHEBI:27642 chebi:27642 BZLVMXJERCGZMT-UHFFFAOYSA-N	methyl tert-butyl ether 2-Methoxy-2-methylpropane 2-Methyl-2-methoxypropane MTBE Methyl 1,1-dimethylethyl ether Methyl t-butyl ether Methyl tert-butyl ether Methyl tertiary-butyl ether t-Butyl methyl ether tert-Butyl methyl ether tert-C4H9OCH3 tert-butyl methyl ether
envipath:...a1efbaa39ba5 envipathM:...a1efbaa39ba5 BZLVMXJERCGZMT-UHFFFAOYSA-N	Methyl tert-butyl ether
kegg.compound:C11344 keggC:C11344 BZLVMXJERCGZMT-UHFFFAOYSA-N	Methyl tert-butyl ether tert-Butyl methyl ether
hmdb:HMDB0061749 BZLVMXJERCGZMT-UHFFFAOYSA-N	Methyl-tert-butyl ether 2-Methoxy-2-methylpropane 2-Methyl-2-methoxypropane 2-methoxy-2-methylpropane MTBE Methyl 1,1-dimethylethyl ether Methyl t-butyl ether Methyl tert-butyl ether Methyl tertiary-butyl ether Tert-C4H9OCH3 Tert-butyl methyl ether methyl tertiary-butyl ether t-Butyl methyl ether
metacyc.compound:CPD-19011 metacycM:CPD-19011 BZLVMXJERCGZMT-UHFFFAOYSA-N	methyl tert-butyl ether 2-methoxy-2-methylpropane MTBE
seed.compound:cpd08200 seedM:cpd08200 BZLVMXJERCGZMT-UHFFFAOYSA-N	tert-Butyl methyl ether 2-methoxy-2-methylpropane MTBE Methyl tert-butyl ether methyl tert-butyl ether
hmdb:HMDB61749 chebi:25261 chebi:59027 chebi:6860 keggC:M_C11344 seedM:M_cpd08200	secondary/obsolete/fantasy identifier