CHEBI:16958 - β-alanine

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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 0
Average Mass 89.09322
Monoisotopic Mass 89.048
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:10090) Source: BioModels - MODEL1507180067 See: PubMed
Saccharomyces cerevisiae (NCBI:4932) Source: yeast.sf.net See: PubMed
Escherichia coli (NCBI:562) See: PubMed
Homo sapiens (NCBI:9606) See: DOI
Roles Classification
Chemical Role(s): 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.
View more via ChEBI Ontology
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-[4-(1,3,3a,4,7,7a-hexahydro-2H-isoindol-2-ylcarbonyl)benzoyl]-β-alanine (CHEBI:71526) 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
Synonyms Sources
3-aminopropanoic acid ChEBI
3-Aminopropionic acid KEGG COMPOUND
bAla ChEBI
beta-Alanine KEGG COMPOUND
BETA-ALANINE PDBeChem
β-aminopropionic acid NIST Chemistry WebBook
H-β-Ala-OH ChEBI
ω-aminopropionic acid ChEBI
Database Links Databases
B-ALANINE MetaCyc
BAL PDBeChem
Beta-Alanine Wikipedia
C00001333 KNApSAcK
C00099 KEGG COMPOUND
D07561 KEGG DRUG
DB03107 DrugBank
HMDB00056 HMDB
View more database links
Registry Numbers Types Sources
107-95-9 CAS Registry Number KEGG COMPOUND
107-95-9 CAS Registry Number ChemIDplus
107-95-9 CAS Registry Number NIST Chemistry WebBook
49614 Gmelin Registry Number Gmelin
906793 Beilstein Registry Number Beilstein
906793 Reaxys Registry Number Reaxys
Citations Waiting for Citations Types Sources
11139233 PubMed citation Europe PMC
11850512 PubMed citation Europe PMC
12107759 PubMed citation Europe PMC
12887142 PubMed citation Europe PMC
14363188 PubMed citation Europe PMC
16934791 PubMed citation Europe PMC
18528519 PubMed citation Europe PMC
18613640 PubMed citation Europe PMC
19239140 PubMed citation Europe PMC
19955842 PubMed citation Europe PMC
20199122 PubMed citation Europe PMC
20386120 PubMed citation Europe PMC
20479615 PubMed citation Europe PMC
20994958 PubMed citation Europe PMC
22735334 PubMed citation Europe PMC
Last Modified
27 January 2016