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

Feedback

butanal

	Properties	Image
MNX_ID	MNXM1017
reference	chebi:15743
formula	C₄H₈O
global charge	0
mol weight	72.107
InChIKey	ZTQSAGDEMFDKMZ-UHFFFAOYSA-N
InChI	InChI=1S/C4H8O/c1-2-3-4-5/h4H,2-3H2,1H3
SMILES	CCCC=O

MNX internals

InChI (mnx)	InChI=1/C4H8O/c1-2-3-4-5/h4H,2-3H2,1H3
SMILES (mnx)	[CH3:1][CH2:2][CH2:3][CH:4]=[O:5]

Parent-child relations graph

Occurences in reactions	#reac
in my sandbox	0
in MNXref (generic)	42
in models (compartimentalized)	15

Similar chemical compounds in external resources
Identifier	Description
CHEBI:15743 chebi:15743 ZTQSAGDEMFDKMZ-UHFFFAOYSA-N	butanal 1-Butanal Aldehyde butyrique Aldeide butirrica Butal Butaldehyde Butanal Butanaldehyde Butyl aldehyde Butylaldehyde Butyral Butyraldehyd Butyraldehyde Butyric aldehyde Butyrylaldehyde butan-1-al n-Butanal n-Butyl aldehyde n-Butyraldehyde n-C3H7CHO
metacyc.compound:BUTANAL metacycM:BUTANAL ZTQSAGDEMFDKMZ-UHFFFAOYSA-N	1-butanal butan-1-al butanal butyraldehyde n-butyraldehyde
bigg.metabolite:btal biggM:btal SLM:000390231 slm:000390231 ZTQSAGDEMFDKMZ-UHFFFAOYSA-N	Butanal
hmdb:HMDB0003543 ZTQSAGDEMFDKMZ-UHFFFAOYSA-N	Butanal 1-Butanal Aldehyde butyrique Aldeide butirrica Butal Butaldehyde Butalyde Butan-1-al Butanaldehyde Butyl aldehyde Butylaldehyde Butyral Butyraldehyd Butyraldehyde Butyric aldehyde Butyrylaldehyde N-Butanal N-Butyl aldehyde N-Butylaldehyde N-Butyraldehyde N-C3H7CHO butanal butoxide
seed.compound:cpd01011 seedM:cpd01011 ZTQSAGDEMFDKMZ-UHFFFAOYSA-N	Butanal 1-butanal Butyraldehyde btal butan-1-al butanal butyraldehyde n-butyraldehyde
kegg.compound:C01412 keggC:C01412 ZTQSAGDEMFDKMZ-UHFFFAOYSA-N	Butanal Butyraldehyde
sabiork.compound:2281 sabiorkM:2281 ZTQSAGDEMFDKMZ-UHFFFAOYSA-N	Butanal Butyraldehyde N-Butyraldehyde
vmhM:btal vmhmetabolite:btal ZTQSAGDEMFDKMZ-UHFFFAOYSA-N	Butanal butanal
envipath:...d044d115b969 envipathM:...d044d115b969 ZTQSAGDEMFDKMZ-UHFFFAOYSA-N	compound 0038023
hmdb:HMDB03543 chebi:13923 chebi:22938 chebi:3233 biggM:M_btal keggC:M_C01412 seedM:M_cpd01011 vmhM:M_btal	secondary/obsolete/fantasy identifier