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β-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:12389, CHEBI:10343
Supplier Information
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Formula Source
C3H7NO2 KEGG COMPOUND
Net Charge 0
Average Mass 89.09322
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 Source
Isolated from Homo sapiens (NCBI:9606) DOI
Roles Classification
Chemical Role(s): inhibitor
A substance that diminishes the rate of a chemical reaction.
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).
agonist
Substance which binds to cell receptors normally responding to naturally occurring substances and which produces a response of its own.
fundamental metabolite
Any metabolite produced by all living cells.
neurotransmitter
An endogenous compound that is used to transmit information across the synapse between a neuron and another cell.
View more on the 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 NIST Chemistry WebBook
107-95-9 CAS Registry Number ChemIDplus
49614 Gmelin Registry Number Gmelin
906793 Beilstein Registry Number Beilstein
906793 Reaxys Registry Number Reaxys
Citations Waiting for Citations Types Sources
11139233 PubMed citation CiteXplore
11850512 PubMed citation CiteXplore
12107759 PubMed citation CiteXplore
12887142 PubMed citation CiteXplore
14363188 PubMed citation CiteXplore
16934791 PubMed citation CiteXplore
18528519 PubMed citation CiteXplore
18613640 PubMed citation CiteXplore
19239140 PubMed citation CiteXplore
19955842 PubMed citation CiteXplore
20199122 PubMed citation CiteXplore
20386120 PubMed citation CiteXplore
20479615 PubMed citation CiteXplore
20994958 PubMed citation CiteXplore
22735334 PubMed citation CiteXplore
Last Modified
28 July 2014

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