4-(trimethylammonio)butanoate (CHEBI:16244)

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CHEBI:16244 - 4-(trimethylammonio)butanoate

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ChEBI ID	CHEBI:16244
ChEBI Name	4-(trimethylammonio)butanoate
Stars
Definition	An amino-acid betaine γ-aminobutyric acid zwitterion in which all of the hydrogens attached to the nitrogen are replaced by methyl groups.
Secondary ChEBI IDs	CHEBI:12047, CHEBI:20484
Last Modified	22 December 2016
Downloads	Molfile

Formula	C7H15NO2
Net Charge	0
Average Mass	145.202
Monoisotopic Mass	145.11028
SMILES	C[N+](C)(C)CCCC(=O)[O-]
InChI	InChI=1S/C7H15NO2/c1-8(2,3)6-4-5-7(9)10/h4-6H2,1-3H3
InChIKey	JHPNVNIEXXLNTR-UHFFFAOYSA-N

Species of Metabolite	Component	Source	Comments
Escherichia coli (ncbitaxon:562)	-	PubMed (398096)
Homo sapiens (ncbitaxon:9606)	-	DOI (10.1038/nbt.2488)

Roles Classification

Biological Roles:

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).

ChEBI Ontology

Outgoing Relation(s)
	4-(trimethylammonio)butanoate (CHEBI:16244) has functional parent γ-aminobutyrate (CHEBI:30566)
	4-(trimethylammonio)butanoate (CHEBI:16244) has functional parent γ-aminobutyric acid zwitterion (CHEBI:59888)
	4-(trimethylammonio)butanoate (CHEBI:16244) has role Escherichia coli metabolite (CHEBI:76971)
	4-(trimethylammonio)butanoate (CHEBI:16244) has role human metabolite (CHEBI:77746)
	4-(trimethylammonio)butanoate (CHEBI:16244) is a amino-acid betaine (CHEBI:22860)
	4-(trimethylammonio)butanoate (CHEBI:16244) is conjugate base of 4-(trimethylammonio)butanoic acid (CHEBI:1941)
Incoming Relation(s)
Incoming Relation(s)	4-(trimethylammonio)butanoic acid (CHEBI:1941) is conjugate acid of 4-(trimethylammonio)butanoate (CHEBI:16244)

IUPAC Name
4-(trimethylammonio)butanoate

Synonyms	Source
3-Dehydroxycarnitine	HMDB
4-butyrobetaine	ChemIDplus
4-(N-trimethylamino)butyrate	ChemIDplus
Actinine	ChemIDplus
butyrobetaine	ChemIDplus
deoxycarnitine	ChemIDplus

UniProt Name	Source
4-(trimethylamino)butanoate	UniProt

Manual Xrefs	Databases
ECMDB21336	ECMDB
GAMMA-BUTYROBETAINE	MetaCyc
HMDB0006831	HMDB

Registry Numbers	Sources
Reaxys:3538300	Reaxys
CAS:407-64-7	ChemIDplus

Citations