CHEBI:1941 - 4-(trimethylammonio)butanoic acid

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ChEBI Name 4-(trimethylammonio)butanoic acid
ChEBI ID CHEBI:1941
Definition A quaternary ammonium ion that is the conjugate acid of 4-(trimethylammonio)butanoate.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C7H16NO2
Net Charge +1
Average Mass 146.20748
Monoisotopic Mass 146.118
InChI InChI=1S/C7H15NO2/c1-8(2,3)6-4-5-7(9)10/h4-6H2,1-3H3/p+1
InChIKey JHPNVNIEXXLNTR-UHFFFAOYSA-O
SMILES C[N+](C)(C)CCCC(O)=O
Metabolite of Species Details
Mus musculus (NCBI:txid10090) Source: BioModels - MODEL1507180067 See: PubMed
Escherichia coli (NCBI:txid562) See: PubMed
Roles Classification
Biological Role(s): Escherichia coli metabolite
Any bacterial metabolite produced during a metabolic reaction in Escherichia coli.
human metabolite
Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
mouse metabolite
Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus).
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 4-(trimethylammonio)butanoic acid (CHEBI:1941) has role Escherichia coli metabolite (CHEBI:76971)
4-(trimethylammonio)butanoic acid (CHEBI:1941) has role human metabolite (CHEBI:77746)
4-(trimethylammonio)butanoic acid (CHEBI:1941) has role mouse metabolite (CHEBI:75771)
4-(trimethylammonio)butanoic acid (CHEBI:1941) is a quaternary ammonium ion (CHEBI:35267)
4-(trimethylammonio)butanoic acid (CHEBI:1941) is conjugate acid of 4-(trimethylammonio)butanoate (CHEBI:16244)
Incoming γ-butyrobetainyl-CoA (CHEBI:61517) has functional parent 4-(trimethylammonio)butanoic acid (CHEBI:1941)
4-(trimethylammonio)butanoate (CHEBI:16244) is conjugate base of 4-(trimethylammonio)butanoic acid (CHEBI:1941)
IUPAC Name
3-carboxy-N,N,N-trimethylpropan-1-aminium
Synonyms Sources
4-Trimethylammoniobutanoate KEGG COMPOUND
Butyrobetaine HMDB
gamma-Butyrobetaine HMDB
γ-butyrobetaine ChEBI
Manual Xrefs Databases
C01181 KEGG COMPOUND
HMDB0001161 HMDB
NM2 PDBeChem
View more database links
Registry Numbers Types Sources
1765273 Beilstein Registry Number Beilstein
1765273 Reaxys Registry Number Reaxys
Last Modified
27 January 2016