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

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4-(trimethylamino)butanoate

	Properties	Image
MNX_ID	MNXM738927
reference	chebi:16244
formula	C₇H₁₅NO₂
global charge	0
mol weight	145.202
InChIKey	JHPNVNIEXXLNTR-UHFFFAOYSA-N
InChI	InChI=1S/C7H15NO2/c1-8(2,3)6-4-5-7(9)10/h4-6H2,1-3H3
SMILES	C[N+](C)(C)CCCC(=O)[O-]

MNX internals

InChI (mnx)	InChI=1/C7H15NO2/c1-8(2,3)6-4-5-7(9)10/h4-6H2,1-3H3
SMILES (mnx)	[CH3:1][N+:8]([CH3:2])([CH3:3])[CH2:6][CH2:4][CH2:5][C:7](=[O:9])[O-:10]

Parent-child relations graph

Occurences in reactions	#reac
in my sandbox	0
in MNXref (generic)	19
in models (compartimentalized)	12

Similar chemical compounds in external resources
Identifier	Description
reactome:R-ALL-31369 reactomeM:R-ALL-31369 CHEBI:16244 chebi:16244 JHPNVNIEXXLNTR-UHFFFAOYSA-N	4-(trimethylamino)butanoate 3-Dehydroxycarnitine 4-(N-trimethylamino)butyrate 4-(trimethylammonio)butanoate 4-butyrobetaine Actinine butyrobetaine deoxycarnitine gamma-Butyrobetain gamma-butyrobetaine
vmhM:4tmeabutn vmhmetabolite:4tmeabutn JHPNVNIEXXLNTR-UHFFFAOYSA-N	4-(trimethylammonio)butanoate 4-(trimethylazaniumyl)butanoate
CHEBI:1941 chebi:1941 JHPNVNIEXXLNTR-UHFFFAOYSA-O	4-(trimethylammonio)butanoic acid 3-carboxy-N,N,N-trimethylpropan-1-aminium 4-Trimethylammoniobutanoate Butyrobetaine gamma-Butyrobetaine gamma-butyrobetaine
bigg.metabolite:4tmeabutn biggM:4tmeabutn sabiork.compound:5425 sabiorkM:5425 JHPNVNIEXXLNTR-UHFFFAOYSA-N JHPNVNIEXXLNTR-UHFFFAOYSA-O	4-Trimethylammoniobutanoate
kegg.compound:C01181 keggC:C01181 JHPNVNIEXXLNTR-UHFFFAOYSA-O	4-Trimethylammoniobutanoate Butyro-betaine gamma-Butyrobetaine
hmdb:HMDB0001161 JHPNVNIEXXLNTR-UHFFFAOYSA-N	4-Trimethylammoniobutanoic acid 3-Dehydroxycarnitine 4-(N-Trimethylamino)butyrate 4-(N-Trimethylamino)butyric acid 4-(Trimethylamino)butanoate 4-(Trimethylamino)butanoic acid 4-(trimethylazaniumyl)butanoate 4-Butyrobetaine 4-N-Trimethylammonium butyrate 4-Trimethylaminobutyrate 4-Trimethylammoniobutanoate Actinine Butyrobetaine Deoxy-carnitine Deoxycarnitine butyrobetaine g-Butyrobetain g-Butyrobetaine gamma-Butyrobetain gamma-Butyrobetaine gamma-butyrobetain gamma-butyrobetaine
metacyc.compound:GAMMA-BUTYROBETAINE metacycM:GAMMA-BUTYROBETAINE JHPNVNIEXXLNTR-UHFFFAOYSA-N	gamma-butyrobetaine 3-carboxypropyl-trimethyl-ammonium 4-(trimethylamino)butanoate 4-(trimethylammonio)butanoate 4-(trimethylammonio)butanoic acid 4-butyrobetaine actinine deoxycarnitine precarnitine
seed.compound:cpd00870 seedM:cpd00870 JHPNVNIEXXLNTR-UHFFFAOYSA-N	gamma-butyrobetaine 3-carboxypropyl-trimethyl-ammonium 4-(trimethylamino)butanoate 4-(trimethylammonio)butanoate 4-Trimethylammoniobutanoate 4-butyrobetaine 4-trimethylammoniobutanoate actinine deoxycarnitine gamma-Butyrobetaine gbbtn
hmdb:HMDB0006831 hmdb:HMDB01161 hmdb:HMDB06831 chebi:12047 chebi:20484 biggM:M_4tmeabutn keggC:M_C01181 seedM:M_cpd00870 vmhM:M_4tmeabutn	secondary/obsolete/fantasy identifier