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

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3-acetamidopropanal

	Properties	Image
MNX_ID	MNXM771
reference	chebi:30322
formula	C₅H₉NO₂
global charge	0
mol weight	115.132
InChIKey	ARJPPNFIEQKVBB-UHFFFAOYSA-N
InChI	InChI=1S/C5H9NO2/c1-5(8)6-3-2-4-7/h4H,2-3H2,1H3,(H,6,8)
SMILES	CC(=O)NCCC=O

MNX internals

InChI (mnx)	InChI=1/C5H9NO2/c1-5(8)6-3-2-4-7/h4H,2-3H2,1H3,(H,6,8)
SMILES (mnx)	[CH3:1][C:5](=[N:6][CH2:3][CH2:2][CH:4]=[O:7])[OH:8]

Parent-child relations graph

Occurences in reactions	#reac
in my sandbox	0
in MNXref (generic)	3
in models (compartimentalized)	9

Similar chemical compounds in external resources
Identifier	Description
metacyc.compound:CPD-10687 metacycM:CPD-10687 reactome:R-ALL-141327 reactomeM:R-ALL-141327 CHEBI:30322 chebi:30322 ARJPPNFIEQKVBB-UHFFFAOYSA-N	3-acetamidopropanal N-(3-oxopropyl)acetamide
sabiork.compound:28801 sabiorkM:28801 kegg.compound:C18170 keggC:C18170 ARJPPNFIEQKVBB-UHFFFAOYSA-N	3-Acetamidopropanal
seed.compound:cpd19440 seedM:cpd19440 ARJPPNFIEQKVBB-UHFFFAOYSA-N	3-Acetamidopropanal 3-acetamidopropanal N-(3-oxopropyl)acetamide
bigg.metabolite:3aap biggM:3aap	3-acetamidopropanal
hmdb:HMDB0012880 ARJPPNFIEQKVBB-UHFFFAOYSA-N	Acetamidopropanal 3-Acetamidopropanal 3-acetamidopropanal 3AAP N-(3-Oxopropyl)acetamide N-(3-oxopropyl)acetamide
vmhM:CE4788 vmhmetabolite:CE4788 ARJPPNFIEQKVBB-UHFFFAOYSA-N	acetamidopropanal N-(3-oxopropyl)acetamide
hmdb:HMDB12880 biggM:M_3aap keggC:M_C18170 seedM:M_cpd19440 vmhM:M_CE4788	secondary/obsolete/fantasy identifier