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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-4-one

Properties

Image

Occurences in reactions

MNX_ID

MNXM37461

Image of MNXM37461

	#reac
in my sandbox	0
in MNXref (generic)	2
in models (compartimentalized)	1

formula

C₇H₁₄O

charge

0

mass

114.10447

reference

InChIKey

HCFAJYNVAYBARA-UHFFFAOYSA-N

InChI

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

SMILES

CCCC(=O)CCC

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:89484 chebi:89484	heptan-4-one 4-Oxoheptane 4-heptanone Butyrone Di-n-propyl ketone Dipropyl ketone Propyl ketone
sabiork.compound:25782 sabiorkM:25782	4-Heptanone
hmdb:HMDB0004814	4-Heptanone 4-Oxoheptane Butyrone Di-N-propyl ketone Dipropyl ketone Heptan-4-one Propyl ketone heptan-4-one propyl ketone
lipidmaps:LMFA12000118 lipidmapsM:LMFA12000118	Heptan-4-one Heptan-4-one
envipath:...09ff09624017 envipathM:...09ff09624017	compound 0060566
hmdb:HMDB04814	secondary/obsolete/fantasy identifier