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ChEBI
> Main
CHEBI:47291 - 3-chloro-
D
-alanine zwitterion
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ChEBI Name
3-chloro-
D
-alanine zwitterion
ChEBI ID
CHEBI:47291
ChEBI ASCII Name
3-chloro-D-alanine zwitterion
Definition
Zwitterionic form of 3-chloro-
D
-alanine having an anionic carboxy group and a protonated amino group; major species at pH 7.3.
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This entity has been manually annotated by the ChEBI Team.
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Molfile
Formula
C3H6ClNO2
Net Charge
0
Average Mass
123.53800
Monoisotopic Mass
123.00871
InChI
InChI=1S/C3H6ClNO2/c4-1-2(5)3(6)7/h2H,1,5H2,(H,6,7)/t2-/m1/s1
InChIKey
ASBJGPTTYPEMLP-UWTATZPHSA-N
SMILES
[NH3+][C@H](CCl)C([O-])=O
ChEBI Ontology
Outgoing
3-chloro-
D
-alanine zwitterion (
CHEBI:47291
)
is a
amino acid zwitterion (
CHEBI:35238
)
3-chloro-
D
-alanine zwitterion (
CHEBI:47291
)
is a
organochlorine compound (
CHEBI:36683
)
3-chloro-
D
-alanine zwitterion (
CHEBI:47291
)
is tautomer of
3-chloro-
D
-alanine (
CHEBI:17092
)
Incoming
3-chloro-
D
-alanine (
CHEBI:17092
)
is tautomer of
3-chloro-
D
-alanine zwitterion (
CHEBI:47291
)
IUPAC Name
(2
S
)-2-azaniumyl-3-chloropropanoate
Synonym
Source
3-chloro-
D
-alanine
UniProt
Manual Xref
Database
C2N
PDBeChem
View more database links
Last Modified
11 September 2013