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

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butan-2-one

	Properties	Image
MNX_ID	MNXM146122
reference	chebi:28398
formula	C₄H₈O
global charge	0
mol weight	72.107
InChIKey	ZWEHNKRNPOVVGH-UHFFFAOYSA-N
InChI	InChI=1S/C4H8O/c1-3-4(2)5/h3H2,1-2H3
SMILES	CCC(C)=O

MNX internals

InChI (mnx)	InChI=1/C4H8O/c1-3-4(2)5/h3H2,1-2H3
SMILES (mnx)	[CH3:1][CH2:3][C:4]([CH3:2])=[O:5]

Parent-child relations graph

Occurences in reactions	#reac
in my sandbox	0
in MNXref (generic)	19
in models (compartimentalized)	3

Similar chemical compounds in external resources
Identifier	Description
CHEBI:28398 chebi:28398 ZWEHNKRNPOVVGH-UHFFFAOYSA-N	butan-2-one 2-Butanon 2-Butanone 3-butanone Aethylmethylketon C2H5COCH3 Ethyl methyl ketone Ethylmethylketon MEK Methyl ethyl ketone Methylethylketon butanone butanone 2 ethyl methyl cetone ethyl(methyl) ketone ethylmethyl ketone meetco methyl acetone methyl ethyl cetone methyl(ethyl) ketone methylacetone methylethyl ketone oxobutane
sabiork.compound:2545 sabiorkM:2545 ZWEHNKRNPOVVGH-UHFFFAOYSA-N	2-Butanone Ethyl methyl ketone MEK Methyl ethyl ketone
lipidmaps:LMFA12000043 lipidmapsM:LMFA12000043 ZWEHNKRNPOVVGH-UHFFFAOYSA-N	Butan-2-one Butan-2-one
hmdb:HMDB0000474 ZWEHNKRNPOVVGH-UHFFFAOYSA-N	Butanone 2-Butanon 2-Butanone 3-Butanone Aethylmethylketon Butan-2-one Butanone 2 C2H5COCH3 Ethyl methyl cetone Ethyl methyl ketone Ethyl(methyl) ketone Ethylmethyl ketone Ethylmethylketon MEK Meetco Methyl acetone Methyl ethyl cetone Methyl ethyl ketone Methyl(ethyl) ketone Methylacetone Methylethyl ketone Methylethylketon Oxobutane butan-2-one methyl(ethyl) ketone
seed.compound:cpd01834 seedM:cpd01834 ZWEHNKRNPOVVGH-UHFFFAOYSA-N	MEK 2-Butanone 2-butanone Butan-2-one Ethyl methyl ketone Methyl ethyl ketone butan-2-one butanone ethylmethylketone methyl ethyl ketone methylethylketone
envipath:...4759d3ef3fa8 envipathM:...4759d3ef3fa8 ZWEHNKRNPOVVGH-UHFFFAOYSA-N	Methyl ethyl ketone
kegg.compound:C02845 keggC:C02845 ZWEHNKRNPOVVGH-UHFFFAOYSA-N	Methyl ethyl ketone 2-Butanone Butan-2-one Ethyl methyl ketone MEK
metacyc.compound:MEK metacycM:MEK ZWEHNKRNPOVVGH-UHFFFAOYSA-N	butan-2-one 2-butanone butanone ethylmethylketone methyl ethyl ketone methylethylketone
envipath:...6967b6259d10 envipathM:...6967b6259d10 ZWEHNKRNPOVVGH-UHFFFAOYSA-N	compound 0059006
hmdb:HMDB00474 chebi:25249 chebi:6858 keggC:M_C02845 seedM:M_cpd01834	secondary/obsolete/fantasy identifier