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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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2-Oxohexane

Properties

Image

Occurences in reactions

MNX_ID

MNXM35398

Image of MNXM35398

	#reac
in my sandbox	0
in MNXref (generic)	4
in models (compartimentalized)	0

formula

C₆H₁₂O

charge

0

mass

100.08882

reference

InChIKey

QQZOPKMRPOGIEB-UHFFFAOYSA-N

InChI

InChI=1S/C6H12O/c1-3-4-5-6(2)7/h3-5H2,1-2H3

SMILES

CCCCC(C)=O

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:89206 chebi:89206	2-Oxohexane 2-Hexanone 2-Hexanone Methyl N-butyl ketone Butyl methyl ketone Hexan-2-one MNBK Methyl N-butyl ketone Methyl butyl ketone N-Butyl methyl ketone N-C4H9COCH3 Propylacetone hexan-2-one
sabiork.compound:25794 sabiorkM:25794	2-Hexanone
hmdb:HMDB0005842	2-Oxohexane 2 Hexanone 2-Hexanone 2-Hexanone methyl N-butyl ketone Butyl methyl ketone Butylmethyl ketone Hexan 2 one Hexan-2-one Ketone, butylmethyl Ketone, methyl N-butyl MBK MNBK Methyl N butyl ketone Methyl N-butyl ketone Methyl butyl ketone N-Butyl ketone, methyl N-Butyl methyl ketone N-C4H9COCH3 Propylacetone hexan-2-one hexanone
lipidmaps:LMFA12000048 lipidmapsM:LMFA12000048	Hexan-2-one Hexan-2-one
envipath:...0a94946bb6bb envipathM:...0a94946bb6bb	compound 0058254
hmdb:HMDB05842	secondary/obsolete/fantasy identifier