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

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4-(trimethylamino)butanal

	Properties	Image
MNX_ID	MNXM940
reference	chebi:18020
formula	C₇H₁₆NO
global charge	1
mol weight	130.211
InChIKey	OITBLCDWXSXNCN-UHFFFAOYSA-N
InChI	InChI=1S/C7H16NO/c1-8(2,3)6-4-5-7-9/h7H,4-6H2,1-3H3/q+1
SMILES	C[N+](C)(C)CCCC=O

MNX internals

InChI (mnx)	InChI=1/C7H16NO/c1-8(2,3)6-4-5-7-9/h7H,4-6H2,1-3H3/q+1
SMILES (mnx)	[CH3:1][N+:8]([CH3:2])([CH3:3])[CH2:6][CH2:4][CH2:5][CH:7]=[O:9]

Parent-child relations graph

Occurences in reactions	#reac
in my sandbox	0
in MNXref (generic)	4
in models (compartimentalized)	4

Similar chemical compounds in external resources
Identifier	Description
reactome:R-ALL-31311 reactomeM:R-ALL-31311 CHEBI:18020 chebi:18020 OITBLCDWXSXNCN-UHFFFAOYSA-N	4-(trimethylamino)butanal 4-Trimethylammoniobutanal 4-trimethylammoniobutanal N,N,N-trimethyl-4-oxobutan-1-aminium
bigg.metabolite:4tmeabut biggM:4tmeabut sabiork.compound:2257 sabiorkM:2257 kegg.compound:C01149 keggC:C01149 OITBLCDWXSXNCN-UHFFFAOYSA-N	4-Trimethylammoniobutanal
seed.compound:cpd00845 seedM:cpd00845 OITBLCDWXSXNCN-UHFFFAOYSA-N	4-Trimethylammoniobutanal 1-butanaminium, N,N,N-trimethyl-4-oxo- 4-trimethylammoniobutanal N,N,N-trimethyl-4-oxobutan-1-aminium gamma-trimethylaminobutyraldehyde trimethyl-(4-oxobutyl)ammonium trimethylaminobutyraldehyde
hmdb:HMDB0001345 OITBLCDWXSXNCN-UHFFFAOYSA-N	4-Trimethylammoniobutanal 4-(Trimethylamino)butanal 4-(Trimethylammonio)butanal N,N,N-Trimethyl-4-oxo-1-butanaminium Trimethyl-(4-oxobutyl)ammonium Trimethylaminobutyraldehyde gamma-Trimethylaminobutyraldehyde trimethyl(4-oxobutyl)azanium trimethylaminobutyraldehyde
metacyc.compound:4-TRIMETHYLAMMONIOBUTANAL metacycM:4-TRIMETHYLAMMONIOBUTANAL OITBLCDWXSXNCN-UHFFFAOYSA-N	4-trimethylammoniobutanal 1-butanaminium, N,N,N-trimethyl-4-oxo- N,N,N-trimethyl-4-oxobutan-1-aminium gamma-trimethylaminobutyraldehyde trimethyl-(4-oxobutyl)ammonium trimethylaminobutyraldehyde
vmhM:4tmeabut vmhmetabolite:4tmeabut OITBLCDWXSXNCN-UHFFFAOYSA-N	4-trimethylammoniobutanal trimethyl(4-oxobutyl)azanium
hmdb:HMDB01345 chebi:12046 chebi:1940 chebi:20483 biggM:M_4tmeabut keggC:M_C01149 seedM:M_cpd00845 vmhM:M_4tmeabut	secondary/obsolete/fantasy identifier