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

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acrolein

	Properties	Image
MNX_ID	MNXM2345
reference	chebi:15368
formula	C₃H₄O
global charge	0
mol weight	56.064
InChIKey	HGINCPLSRVDWNT-UHFFFAOYSA-N
InChI	InChI=1S/C3H4O/c1-2-3-4/h2-3H,1H2
SMILES	C=CC=O

MNX internals

InChI (mnx)	InChI=1/C3H4O/c1-2-3-4/h2-3H,1H2
SMILES (mnx)	[CH2:1]=[CH:2][CH:3]=[O:4]

Parent-child relations graph

Occurences in reactions	#reac
in my sandbox	0
in MNXref (generic)	14
in models (compartimentalized)	3

Similar chemical compounds in external resources
Identifier	Description
CHEBI:15368 chebi:15368 HGINCPLSRVDWNT-UHFFFAOYSA-N	acrolein Acrolein Acrylaldehyde Acrylic aldehyde Propenal acrylaldehyde
hmdb:HMDB0041822 HGINCPLSRVDWNT-UHFFFAOYSA-N	Acrolein 2 Propenal 2-Propen-1-one 2-Propenal 2-Propenaldehyde Acquinite Acraldehyde Acroleina Acrylaldehyde Acrylic aldehyde Aldehyde, acrylic Aldehyde, allyl Aldehyde, ethylene Allyl aldehyde Aqualin Aqualine Biocide CH2=chcho Crolean Ethylene aldehyde Magnacide Magnacide H Magnacide H and b Papite Prop-2-en-1-al Prop-2-enal Propenal Propenaldehyde Propylene aldehyde Slimicide acrolein prop-2-enal trans-Acrolein formylethylene
sabiork.compound:2286 sabiorkM:2286 kegg.compound:C01471 keggC:C01471 HGINCPLSRVDWNT-UHFFFAOYSA-N	Acrolein Acrylaldehyde Acrylic aldehyde Propenal
seed.compound:cpd01044 seedM:cpd01044 HGINCPLSRVDWNT-UHFFFAOYSA-N	Propenal 2-propenal Acrolein Acrylaldehyde Acrylic aldehyde acrolein acrylaldehyde prop-2-enal
metacyc.compound:ACROLEIN metacycM:ACROLEIN HGINCPLSRVDWNT-UHFFFAOYSA-N	acrolein 2-propenal acrylaldehyde prop-2-enal
envipath:...e609355ec220 envipathM:...e609355ec220 HGINCPLSRVDWNT-UHFFFAOYSA-N	compound 0043997
hmdb:HMDB41822 chebi:13720 chebi:22214 chebi:2434 keggC:M_C01471 seedM:M_cpd01044	secondary/obsolete/fantasy identifier