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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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pentan-2-one

Properties

Image

Occurences in reactions

MNX_ID

MNXM4768

Image of MNXM4768

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

formula

C₅H₁₀O

charge

0

mass

86.07316

reference

InChIKey

XNLICIUVMPYHGG-UHFFFAOYSA-N

InChI

InChI=1S/C5H10O/c1-3-4-5(2)6/h3-4H2,1-2H3

SMILES

CCCC(C)=O

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:16472 chebi:16472	pentan-2-one 2-Pentanone 2-pentanone Methyl propyl ketone Pentan-2-one
hmdb:HMDB0034235	2-Pentanone 2-pentanone Ethyl acetone Ethylacetone FEMA 2842 MPK Methyl N-propyl ketone Methyl propyl ketone Methyl-N-propyl ketone Methyl-propyl-cetone Methylpropyl ketone Metylopropyloketon N-C3H7COCH3 N-Propyl methyl ketone PENTAN-2-one Pentanone Pentanone-2 Propyl methyl ketone pentan-2-one
sabiork.compound:2343 sabiorkM:2343	2-Pentanone Methyl propyl ketone Pentan-2-one
seed.compound:cpd01339 seedM:cpd01339	2-Pentanone Methyl propyl ketone Pentan-2-one pentan-2-one
kegg.compound:C01949 keggC:C01949	Pentan-2-one 2-Pentanone Methyl propyl ketone
envipath:...6754b5fd3191 envipathM:...6754b5fd3191	compound 0172941
metacyc.compound:PENTAN-2-ONE metacycM:PENTAN-2-ONE	pentan-2-one
lipidmaps:LMFA12000003 lipidmapsM:LMFA12000003	pentan-2-one pentan-2-one
hmdb:HMDB34235 chebi:14748 chebi:25886 chebi:7978 keggC:M_C01949 seedM:M_cpd01339	secondary/obsolete/fantasy identifier