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

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prop-2-ynal

	Properties	Image
MNX_ID	MNXM2716
reference	chebi:27976
formula	C₃H₂O
global charge	0
mol weight	54.048
InChIKey	IJNJLGFTSIAHEA-UHFFFAOYSA-N
InChI	InChI=1S/C3H2O/c1-2-3-4/h1,3H
SMILES	C#CC=O

MNX internals

InChI (mnx)	InChI=1/C3H2O/c1-2-3-4/h1,3H
SMILES (mnx)	[CH:1]#[C:2][CH:3]=[O:4]

Parent-child relations graph

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

Similar chemical compounds in external resources
Identifier	Description
CHEBI:27976 chebi:27976 IJNJLGFTSIAHEA-UHFFFAOYSA-N	prop-2-ynal 2-Propyn-1-al Formylacetylene Propargylaldehyde Propioaldehyde Propiolaldehyde
seed.compound:cpd03562 seedM:cpd03562 IJNJLGFTSIAHEA-UHFFFAOYSA-N	2-Propyn-1-al 2-Propynal 2-propynal Propiolaldehyde prop-2-ynal propiolaldehyde propynal
hmdb:HMDB0006803 IJNJLGFTSIAHEA-UHFFFAOYSA-N	2-Propyn-1-al Formylacetylene Propargylaldehyde Propioaldehyde Propiolaldehyde prop-2-ynal propiolaldehyde
kegg.compound:C05985 keggC:C05985 IJNJLGFTSIAHEA-UHFFFAOYSA-N	2-Propynal 2-Propyn-1-al Propiolaldehyde
envipath:...1e6695d1befb envipathM:...1e6695d1befb IJNJLGFTSIAHEA-UHFFFAOYSA-N	compound 0045682
metacyc.compound:CPD-15163 metacycM:CPD-15163 IJNJLGFTSIAHEA-UHFFFAOYSA-N	prop-2-ynal 2-propynal propiolaldehyde propynal
hmdb:HMDB06803 chebi:1271 chebi:19772 keggC:M_C05985 seedM:M_cpd03562	secondary/obsolete/fantasy identifier