beta-alanine (CHEBI:16958)

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ChEBI Name	β-alanine

ChEBI ID	CHEBI:16958

ChEBI ASCII Name	beta-alanine

Definition	A naturally-occurring β-amino acid comprising propionic acid with the amino group in the 3-position.

Stars	This entity has been manually annotated by the ChEBI Team.

Secondary ChEBI IDs	CHEBI:22821, CHEBI:41050, CHEBI:10343, CHEBI:12389

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Formula

C3H7NO2

Net Charge

Average Mass

89.09322

Monoisotopic Mass

89.04768

InChI

InChI=1S/C3H7NO2/c4-2-1-3(5)6/h1-2,4H2,(H,5,6)

InChIKey

UCMIRNVEIXFBKS-UHFFFAOYSA-N

SMILES

NCCC(O)=O

Metabolite of Species	Details
Mus musculus (NCBI:txid10090)	Source: BioModels - MODEL1507180067 See: PubMed
Saccharomyces cerevisiae (NCBI:txid4932)	Source: yeast.sf.net See: PubMed
Escherichia coli (NCBI:txid562)	See: PubMed
Homo sapiens (NCBI:txid9606)	See: DOI

Roles Classification
Chemical Role(s):	Bronsted base A molecular entity capable of accepting a hydron from a donor (Bronsted acid). (via organic amino compound ) Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Bronsted base). (via oxoacid )

Biological Role(s):	human metabolite Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens). fundamental metabolite Any metabolite produced by all living cells. inhibitor A substance that diminishes the rate of a chemical reaction. agonist Substance which binds to cell receptors normally responding to naturally occurring substances and which produces a response of its own. neurotransmitter An endogenous compound that is used to transmit information across the synapse between a neuron and another cell.

ChEBI Ontology
Outgoing	β-alanine (CHEBI:16958) has role agonist (CHEBI:48705) β-alanine (CHEBI:16958) has role fundamental metabolite (CHEBI:78675) β-alanine (CHEBI:16958) has role human metabolite (CHEBI:77746) β-alanine (CHEBI:16958) has role inhibitor (CHEBI:35222) β-alanine (CHEBI:16958) has role neurotransmitter (CHEBI:25512) β-alanine (CHEBI:16958) is a β-amino acid (CHEBI:33706) β-alanine (CHEBI:16958) is conjugate acid of β-alaninate (CHEBI:63070) β-alanine (CHEBI:16958) is tautomer of β-alanine zwitterion (CHEBI:57966)

Incoming	β-alanine derivative (CHEBI:22823) has functional parent β-alanine (CHEBI:16958) β-alanyl-CoA (CHEBI:15507) has functional parent β-alanine (CHEBI:16958) N-(2-hydroxyethyl)-β-alanine (CHEBI:141390) has functional parent β-alanine (CHEBI:16958) N-[4-(1,3,3a,4,7,7a-hexahydro-2H-isoindol-2-ylcarbonyl)benzoyl]-β-alanine (CHEBI:71526) has functional parent β-alanine (CHEBI:16958) N-methyl-β-alanine (CHEBI:138669) has functional parent β-alanine (CHEBI:16958) β-alaninate (CHEBI:63070) is conjugate base of β-alanine (CHEBI:16958) β-alanine zwitterion (CHEBI:57966) is tautomer of β-alanine (CHEBI:16958)

IUPAC Names

3-aminopropanoic acid

β-alanine

Last Modified

12 October 2017