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CHEBI:1941 - 4-(trimethylammonio)butanoic acid

ChEBI IDCHEBI:1941
ChEBI Name4-(trimethylammonio)butanoic acid
Stars
DefinitionA quaternary ammonium ion that is the conjugate acid of 4-(trimethylammonio)butanoate.
Last Modified9 December 2019
DownloadsMolfile
FormulaC7H16NO2
Net Charge+1
Average Mass146.210
Monoisotopic Mass146.11756
SMILESC[N+](C)(C)CCCC(=O)O
InChIInChI=1S/C7H15NO2/c1-8(2,3)6-4-5-7(9)10/h4-6H2,1-3H3/p+1
InChIKeyJHPNVNIEXXLNTR-UHFFFAOYSA-O
Species of MetaboliteComponentSourceComments
Escherichia coli (ncbitaxon:562) - PubMed (21988831)
Mus musculus (ncbitaxon:10090) - PubMed (19425150) Source: BioModels - MODEL1507180067
Roles Classification
Biological Roles:
Escherichia coli metabolite  Any bacterial metabolite produced during a metabolic reaction in Escherichia coli.
mouse metabolite  Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus).
human metabolite  Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
ChEBI Ontology
Outgoing Relation(s)
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 Relation(s)
carpronium (CHEBI:145653) has functional parent 4-(trimethylammonio)butanoic acid (CHEBI:1941)
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  Source
4-TrimethylammoniobutanoateKEGG COMPOUND
ButyrobetaineHMDB
gamma-ButyrobetaineHMDB
γ-butyrobetaineChEBI
Manual XrefsDatabases
C01181KEGG COMPOUND
HMDB0001161HMDB
NM2PDBeChem
Registry NumbersSources
Reaxys:1765273Reaxys