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

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4-aminobutanal

	Properties	Image
MNX_ID	MNXM422
reference	chebi:58264
formula	C₄H₁₀NO
global charge	1
mol weight	88.13
InChIKey	DZQLQEYLEYWJIB-UHFFFAOYSA-O
InChI	InChI=1S/C4H9NO/c5-3-1-2-4-6/h4H,1-3,5H2/p+1
SMILES	[NH3+]CCCC=O

MNX internals

InChI (mnx)	InChI=1/C4H9NO/c5-3-1-2-4-6/h4H,1-3,5H2
SMILES (mnx)	[CH2:1]([CH2:2][CH:4]=[O:6])[CH2:3][NH2:5]

Parent-child relations graph

Occurences in reactions	#reac
in my sandbox	0
in MNXref (generic)	22
in models (compartimentalized)	16

Similar chemical compounds in external resources
Identifier	Description
CHEBI:58264 chebi:58264 DZQLQEYLEYWJIB-UHFFFAOYSA-O	4-aminobutanal 4-ammoniobutanal 4-ammoniobutanal cation 4-ammoniobutanal(1+) 4-oxobutan-1-aminium
bigg.metabolite:4abutn biggM:4abutn DZQLQEYLEYWJIB-UHFFFAOYSA-O	4-Aminobutanal
seed.compound:cpd00434 seedM:cpd00434 DZQLQEYLEYWJIB-UHFFFAOYSA-O	4-Aminobutanal 4-Aminobutyraldehyde 4-amino-butyraldehyde 4-aminobutanal 4-aminobutyraldehyde 4abutn ABAL Butyraldehyde, 4-amino- gamma-aminobutyraldehyde
sabiork.compound:2092 sabiorkM:2092 DZQLQEYLEYWJIB-UHFFFAOYSA-N	4-Aminobutanal 4-Aminobutyraldehyde Butyraldehyde, 4-amino- gamma-Aminobutyraldehyde
vmhM:4abutn vmhmetabolite:4abutn DZQLQEYLEYWJIB-UHFFFAOYSA-O	4-Aminobutanal 4-aminobutanal
hmdb:HMDB0001080 DZQLQEYLEYWJIB-UHFFFAOYSA-N	4-Aminobutyraldehyde 4-Amino-butanal 4-Amino-butyraldehyde 4-Aminobutanal 4-Ammoniobutanal 4-aminobutanal gamma-Aminobutyraldehyde omega-aminoaldehyde
kegg.compound:C00555 keggC:C00555 DZQLQEYLEYWJIB-UHFFFAOYSA-N	4-Aminobutyraldehyde 4-Aminobutanal
CHEBI:17769 chebi:17769 DZQLQEYLEYWJIB-UHFFFAOYSA-N	4-aminobutanal 4-Aminobutanal 4-Aminobutyraldehyde 4-amino-butyraldehyde Butyraldehyde, 4-amino-
metacyc.compound:4-AMINO-BUTYRALDEHYDE metacycM:4-AMINO-BUTYRALDEHYDE DZQLQEYLEYWJIB-UHFFFAOYSA-O	4-aminobutanal 4-amino-butyraldehyde 4-aminobutyraldehyde ABAL gamma-aminobutyraldehyde
seed.compound:cpd12219 seedM:cpd12219	omega-Aminoaldehyde
hmdb:HMDB0060247 hmdb:HMDB01080 hmdb:HMDB60247 chebi:11960 chebi:1785 chebi:20316 biggM:M_4abutn keggC:M_C00555 seedM:M_cpd00434 seedM:M_cpd12219 vmhM:M_4abutn	secondary/obsolete/fantasy identifier