MetaNetX
Automated Model Construction and Genome Annotation for Large-Scale Metabolic Networks

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3-methylbutanal

	Properties	Image
MNX_ID	MNXM1711
reference	chebi:16638
formula	C₅H₁₀O
global charge	0
mol weight	86.134
InChIKey	YGHRJJRRZDOVPD-UHFFFAOYSA-N
InChI	InChI=1S/C5H10O/c1-5(2)3-4-6/h4-5H,3H2,1-2H3
SMILES	CC(C)CC=O

MNX internals

InChI (mnx)	InChI=1/C5H10O/c1-5(2)3-4-6/h4-5H,3H2,1-2H3
SMILES (mnx)	[CH3:1][CH:5]([CH3:2])[CH2:3][CH:4]=[O:6]

Parent-child relations graph

Occurences in reactions	#reac
in my sandbox	0
in MNXref (generic)	9
in models (compartimentalized)	2

Similar chemical compounds in external resources
Identifier	Description
CHEBI:16638 chebi:16638 YGHRJJRRZDOVPD-UHFFFAOYSA-N	3-methylbutanal 3-Methylbutanal 3-methylbutyraldehyde Isoamyl aldehyde Isopentaldehyde Isovaleral Isovaleraldehyde Isovalerylaldehyde beta-Methylbutanal iso-C4H9CHO
bigg.metabolite:3mbald biggM:3mbald	3 Methylbutanal
seed.compound:cpd04534 seedM:cpd04534 YGHRJJRRZDOVPD-UHFFFAOYSA-N	3-Methylbutanal 3-methylbutanal 3mbald Isovaleraldehyde isoamylaldehyde isopentaldehyde isovaleraldehyde
sabiork.compound:9440 sabiorkM:9440 kegg.compound:C07329 keggC:C07329 YGHRJJRRZDOVPD-UHFFFAOYSA-N	3-Methylbutanal Isovaleraldehyde
metacyc.compound:CPD-7031 metacycM:CPD-7031 YGHRJJRRZDOVPD-UHFFFAOYSA-N	3-methylbutanal isoamylaldehyde isopentaldehyde isovaleraldehyde
hmdb:HMDB0006478 YGHRJJRRZDOVPD-UHFFFAOYSA-N	Isovaleraldehyde 2-Methylbutanal-4 3-Methyl-1-butanal 3-Methyl-butanal 3-Methyl-butyraldehyde 3-Methylbutan-1-al 3-Methylbutanal 3-Methylbutyraldehyde 3-methylbutanal Iso-C4H9CHO Isoamyl aldehyde Isoamylaldehyde Isopentaldehyde Isopentanal Isovaleral Isovaleric aldehyde Isovalerylaldehyde Methyl butanal b-Methylbutanal beta-Methylbutanal beta-methylbutanal iso-Valeraldehyde isovaleraldehyde
envipath:...7accc45be775 envipathM:...7accc45be775 YGHRJJRRZDOVPD-UHFFFAOYSA-N	compound 0046479
hmdb:HMDB06478 chebi:11854 chebi:1595 chebi:20124 biggM:M_3mbald keggC:M_C07329 seedM:M_cpd04534	secondary/obsolete/fantasy identifier