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

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propanal

	Properties	Image
MNX_ID	MNXM821
reference	chebi:17153
formula	C₃H₆O
global charge	0
mol weight	58.08
InChIKey	NBBJYMSMWIIQGU-UHFFFAOYSA-N
InChI	InChI=1S/C3H6O/c1-2-3-4/h3H,2H2,1H3
SMILES	CCC=O

MNX internals

InChI (mnx)	InChI=1/C3H6O/c1-2-3-4/h3H,2H2,1H3
SMILES (mnx)	[CH3:1][CH2:2][CH:3]=[O:4]

Parent-child relations graph

Occurences in reactions	#reac
in my sandbox	0
in MNXref (generic)	41
in models (compartimentalized)	23

Similar chemical compounds in external resources
Identifier	Description
CHEBI:17153 chebi:17153 NBBJYMSMWIIQGU-UHFFFAOYSA-N	propanal 1-Propanal Aldehyde propionique C2H5CHO Methylacetaldehyde Propaldehyde Propanal Propanaldehyde Propional Propionaldehyde Propionic aldehyde Propyl aldehyde Propylaldehyde Propylic aldehyde n-Propanal n-Propionaldehyde propionaldehyde
metacyc.compound:CPD-665 metacycM:CPD-665 NBBJYMSMWIIQGU-UHFFFAOYSA-N	1-propanal propionaldehyde
bigg.metabolite:ppal biggM:ppal envipath:...a405caf96fdd envipathM:...a405caf96fdd SLM:000390230 slm:000390230 NBBJYMSMWIIQGU-UHFFFAOYSA-N	Propanal
hmdb:HMDB0003366 NBBJYMSMWIIQGU-UHFFFAOYSA-N	Propanal 1-Propanal 1-Propanone Aldehyde propionique C2H5CHO Methylacetaldehyde N-Propanal N-Propionaldehyde Propaldehyde Propanalaldehyde Propanaldehyde Propional Propionaldehyde Propionaldehyde, 1-14C-labeled Propionaldehyde, 2-14C-labeled Propionic aldehyde Proprionaldehyde Propyl aldehyde Propylaldehyde Propylic aldehyde propanal propionaldehyde
seed.compound:cpd00371 seedM:cpd00371 NBBJYMSMWIIQGU-UHFFFAOYSA-N	Propanal 1-propanal Propionaldehyde ppal propanal propionaldehyde
sabiork.compound:2056 sabiorkM:2056 kegg.compound:C00479 keggC:C00479 NBBJYMSMWIIQGU-UHFFFAOYSA-N	Propanal Propionaldehyde
vmhM:ppal vmhmetabolite:ppal NBBJYMSMWIIQGU-UHFFFAOYSA-N	Propanal propanal
envipath:...df8d5d8e2580 envipathM:...df8d5d8e2580 NBBJYMSMWIIQGU-UHFFFAOYSA-N	compound 0039037
hmdb:HMDB03366 chebi:14898 chebi:26281 chebi:41359 chebi:45052 chebi:8468 biggM:M_ppal keggC:M_C00479 seedM:M_cpd00371 vmhM:M_ppal	secondary/obsolete/fantasy identifier