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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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4-methylpentanal

Properties

Image

Occurences in reactions

MNX_ID

MNXM992

Image of MNXM992

	#reac
in my sandbox	0
in MNXref (generic)	16
in models (compartimentalized)	11

formula

C₆H₁₂O

charge

0

mass

100.08882

reference

InChIKey

JGEGJYXHCFUMJF-UHFFFAOYSA-N

InChI

InChI=1S/C6H12O/c1-6(2)4-3-5-7/h5-6H,3-4H2,1-2H3

SMILES

CC(C)CCC=O

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
reactome:R-ALL-193046 reactomeM:R-ALL-193046 reactome:R-ALL-196095 reactomeM:R-ALL-196095 CHEBI:17998 chebi:17998	4-methylpentanal 4-Methyl valeraldehyde 4-Methylpentanal Isocaproaldehyde Isohexanal
bigg.metabolite:4mptnl biggM:4mptnl	4-Methylpentanal
hmdb:HMDB0001318	4-Methylpentanal 4-Methyl valeraldehyde 4-Methyl-valeraldehyde 4-Methylvaleraldehyde 4-methylpentanal Isocaproaldehyde Isocaproaldehyde: 4-methyl-pentanal Isohexana Isohexanal isocaproaldehyde
sabiork.compound:2409 sabiorkM:2409 kegg.compound:C02373 keggC:C02373	4-Methylpentanal Isocaproaldehyde Isohexanal
SLM:000390241 slm:000390241	4-methylpentanal
metacyc.compound:4-METHYLPENTANAL metacycM:4-METHYLPENTANAL	4-methylpentanal isocaproaldehyde isohexanal
seed.compound:cpd01585 seedM:cpd01585	Isohexanal 4-Methylpentanal 4-methylpentanal Isocaproaldehyde isocaproaldehyde isohexanal
hmdb:HMDB01318 chebi:12028 chebi:1901 chebi:20449 chebi:44083 biggM:M_4mptnl keggC:M_C02373 seedM:M_cpd01585	secondary/obsolete/fantasy identifier