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

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2-hydroxy-2-methylpropanenitrile

	Properties	Image
MNX_ID	MNXM2066
reference	chebi:15348
formula	C₄H₇NO
global charge	0
mol weight	85.106
InChIKey	MWFMGBPGAXYFAR-UHFFFAOYSA-N
InChI	InChI=1S/C4H7NO/c1-4(2,6)3-5/h6H,1-2H3
SMILES	CC(C)(O)C#N

MNX internals

InChI (mnx)	InChI=1/C4H7NO/c1-4(2,6)3-5/h6H,1-2H3
SMILES (mnx)	[CH3:1][C:4]([CH3:2])([C:3]#[N:5])[OH:6]

Parent-child relations graph

Occurences in reactions	#reac
in my sandbox	0
in MNXref (generic)	18
in models (compartimentalized)	0

Similar chemical compounds in external resources
Identifier	Description
CHEBI:15348 chebi:15348 MWFMGBPGAXYFAR-UHFFFAOYSA-N	2-hydroxy-2-methylpropanenitrile 2-Hydroxy-2-methylpropanenitrile 2-Hydroxyisobutyronitrile 2-Methyllactonitrile Acetone cyanhydrin Acetone cyanohydrin acetone-cyanohydrin alpha-Hydroxyisobutyronitrile
metacyc.compound:2-HYDROXY-2-METHYLPROPANENITRILE metacycM:2-HYDROXY-2-METHYLPROPANENITRILE MWFMGBPGAXYFAR-UHFFFAOYSA-N	2-hydroxy-2-methylpropanenitrile 2-hydroxyisobutyronitrile acetone cyanohydrin
seed.compound:cpd01730 seedM:cpd01730 MWFMGBPGAXYFAR-UHFFFAOYSA-N	Acetone cyanhydrin 2-Hydroxy-2-methylpropanenitrile 2-Hydroxyisobutyronitrile 2-Methyllactonitrile 2-hydroxy-2-methylpropanenitrile 2-hydroxyisobutyronitrile Acetone cyanohydrin acetone cyanohydrin alpha-Hydroxyisobutyronitrile
hmdb:HMDB0060427 MWFMGBPGAXYFAR-UHFFFAOYSA-N	Acetone cyanohydrin 2-Hydroxy-2-methylpropanenitrile 2-Hydroxyisobutyronitrile 2-Methyllactonitrile 2-hydroxy-2-methylpropanenitrile Acetoncyanhydrine Acetone cyanhydrin Acetone cyanohydrin, 14C-labeled Acetone-cyanohydrin a-Hydroxyisobutyronitrile acetone cyanohydrin alpha-Hydroxyisobutyronitrile alpha-hydroxyisobutyronitrile
sabiork.compound:6298 sabiorkM:6298 kegg.compound:C02659 keggC:C02659 MWFMGBPGAXYFAR-UHFFFAOYSA-N	Acetone cyanohydrin 2-Hydroxy-2-methylpropanenitrile 2-Hydroxyisobutyronitrile 2-Methyllactonitrile Acetone cyanhydrin alpha-Hydroxyisobutyronitrile
hmdb:HMDB60427 chebi:11581 chebi:11597 chebi:13709 chebi:22184 chebi:2399 chebi:41622 keggC:M_C02659 seedM:M_cpd01730	secondary/obsolete/fantasy identifier