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ChEBI
> Main
CHEBI:16958 - β-alanine
Main
ChEBI Ontology
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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
Supplier Information
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Wikipedia
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Read full article at Wikipedia
Formula
C3H7NO2
Net Charge
0
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 (Br
o
nsted acid).
(via
organic amino compound
)
Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Br
o
nsted 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
-(2-hydroxyethyl)-β-alanine (
CHEBI:141390
)
has functional parent
β-alanine (
CHEBI:16958
)
N
-[4-(1,3,3a,4,7,7a-hexahydro-2
H
-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
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
Manual Xrefs
Databases
B-ALANINE
MetaCyc
BAL
PDBeChem
Beta-Alanine
Wikipedia
C00001333
KNApSAcK
C00099
KEGG COMPOUND
D07561
KEGG DRUG
DB03107
DrugBank
HMDB0000056
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
Reaxys Registry Number
Reaxys
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
12 October 2017