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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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heptan-2-one

Properties

Image

Occurences in reactions

MNX_ID

MNXM56141

Image of MNXM56141

	#reac
in my sandbox	0
in MNXref (generic)	5
in models (compartimentalized)	1

formula

C₇H₁₄O

charge

0

mass

114.10447

reference

InChIKey

CATSNJVOTSVZJV-UHFFFAOYSA-N

InChI

InChI=1S/C7H14O/c1-3-4-5-6-7(2)8/h3-6H2,1-2H3

SMILES

CCCCCC(C)=O

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:5672 chebi:5672	heptan-2-one 2-Heptanone Heptan-2-one Methyl n-amyl ketone butylacetone methyl pentyl ketone n-amyl methyl ketone n-pentyl methyl ketone
hmdb:HMDB0003671	2-Heptanone 1-Methylhexanal 2-Oxoheptane 2-heptanone Amyl methyl ketone Butylacetone Heptan-2-one Methyl N-amyl ketone Methyl N-pentyl ketone Methyl amyl ketone Methyl pentyl ketone Methyl-N-amyl ketone N-Amyl methyl ketone N-Pentyl methyl ketone Pentyl methyl ketone heptan-2-one
seed.compound:cpd05292 seedM:cpd05292 kegg.compound:C08380 keggC:C08380	2-Heptanone Heptan-2-one Methyl n-amyl ketone
sabiork.compound:10475 sabiorkM:10475	Heptan-2-one 2-Heptanone Methyl n-amyl ketone
envipath:...f6544c2582df envipathM:...f6544c2582df envipath:...a95da2dd8e8e envipathM:...a95da2dd8e8e	compound 0066064
lipidmaps:LMFA12000004 lipidmapsM:LMFA12000004	heptan-2-one heptan-2-one
hmdb:HMDB03671 keggC:M_C08380 seedM:M_cpd05292	secondary/obsolete/fantasy identifier