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ChEBI
> Main
CHEBI:16449 - alanine
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ChEBI Name
alanine
ChEBI ID
CHEBI:16449
Definition
An α-amino acid that consists of propionic acid bearing an amino substituent at position 2.
Stars
This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs
CHEBI:2539, CHEBI:13748, CHEBI:22277
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Formula
C3H7NO2
Net Charge
0
Average Mass
89.09322
Monoisotopic Mass
89.04768
InChI
InChI=1S/C3H7NO2/c1-2(4)3(5)6/h2H,4H2,1H3,(H,5,6)
InChIKey
QNAYBMKLOCPYGJ-UHFFFAOYSA-N
SMILES
CC(N)C(O)=O
Metabolite of Species
Details
Daphnia magna
(NCBI:txid35525)
See: Mixtures of similarly acting compounds in Daphnia magna: From gene to metabolite and beyondTine Vandenbrouck, Oliver A.H. Jones, Nathalie Dom, Julian L. Griffin, Wim De CoenEnvironment International 36 (2010) 254-268
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):
fundamental metabolite
Any metabolite produced by all living cells.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
alanine (
CHEBI:16449
)
has functional parent
propionic acid (
CHEBI:30768
)
alanine (
CHEBI:16449
)
has role
fundamental metabolite (
CHEBI:78675
)
alanine (
CHEBI:16449
)
is a
α-amino acid (
CHEBI:33704
)
alanine (
CHEBI:16449
)
is conjugate acid of
alaninate (
CHEBI:32439
)
alanine (
CHEBI:16449
)
is conjugate base of
alaninium (
CHEBI:32440
)
alanine (
CHEBI:16449
)
is tautomer of
alanine zwitterion (
CHEBI:66916
)
Incoming
alanine derivative (
CHEBI:22278
)
has functional parent
alanine (
CHEBI:16449
)
D
-alanine (
CHEBI:15570
)
is a
alanine (
CHEBI:16449
)
L
-alanine (
CHEBI:16977
)
is a
alanine (
CHEBI:16449
)
L
-alanine-2,3,3,3-d
4
(
CHEBI:76050
)
is a
alanine (
CHEBI:16449
)
alanine-2,3,3,3-d
4
(
CHEBI:143534
)
is a
alanine (
CHEBI:16449
)
alanine-d
7
(
CHEBI:132498
)
is a
alanine (
CHEBI:16449
)
alaninium (
CHEBI:32440
)
is conjugate acid of
alanine (
CHEBI:16449
)
alaninate (
CHEBI:32439
)
is conjugate base of
alanine (
CHEBI:16449
)
alanine residue (
CHEBI:32441
)
is substituent group from
alanine (
CHEBI:16449
)
alanino group (
CHEBI:22279
)
is substituent group from
alanine (
CHEBI:16449
)
alanyl group (
CHEBI:22280
)
is substituent group from
alanine (
CHEBI:16449
)
alanine zwitterion (
CHEBI:66916
)
is tautomer of
alanine (
CHEBI:16449
)
IUPAC Names
2-aminopropanoic acid
alanine
Synonyms
Sources
2-Aminopropanoic acid
KEGG COMPOUND
2-Aminopropionic acid
KEGG COMPOUND
A
ChEBI
ALA
ChEBI
Alanin
ChEBI
alanina
ChEBI
Alanine
KEGG COMPOUND
Manual Xrefs
Databases
4306
DrugCentral
Alanine
Wikipedia
C01401
KEGG COMPOUND
View more database links
Registry Numbers
Types
Sources
2449
Gmelin Registry Number
Gmelin
302-72-7
CAS Registry Number
NIST Chemistry WebBook
302-72-7
CAS Registry Number
ChemIDplus
635807
Reaxys Registry Number
Reaxys
635807
Beilstein Registry Number
Beilstein
Citations
Types
Sources
17439666
PubMed citation
Europe PMC
22264337
PubMed citation
Europe PMC
Last Modified
18 April 2024