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CHEBI:88164 - 3-chloroalanine

ChEBI IDCHEBI:88164
ChEBI Name3-chloroalanine
Stars
DefinitionA chloroalanine obtained by replacement of one of the methyl hydrogens of alanine by a chloro group.
Last Modified19 October 2015
Submitterrnash
DownloadsMolfile
FormulaC3H6ClNO2
Net Charge0
Average Mass123.539
Monoisotopic Mass123.00871
SMILESNC(CCl)C(=O)O
InChIInChI=1S/C3H6ClNO2/c4-1-2(5)3(6)7/h2H,1,5H2,(H,6,7)
InChIKeyASBJGPTTYPEMLP-UHFFFAOYSA-N
Roles Classification
Chemical Roles:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
3-chloroalanine (CHEBI:88164) is a chloroalanine (CHEBI:23127)
3-chloroalanine (CHEBI:88164) is a non-proteinogenic α-amino acid (CHEBI:83925)
3-chloroalanine (CHEBI:88164) is a organochlorine compound (CHEBI:36683)
Incoming Relation(s)
3-chloro-D-alanine (CHEBI:17092) is a 3-chloroalanine (CHEBI:88164)
3-chloro-L-alanine (CHEBI:17403) is a 3-chloroalanine (CHEBI:88164)
IUPAC Name 
3-chloroalanine
Synonyms  Source
β-chloro-DL-alanineSUBMITTER
3-Chloro-DL-alanineChemIDplus
beta-ChloroalanineChemIDplus
DL-3-ChloroalanineChemIDplus
Manual XrefsDatabases
3-CHLORO-DL-ALANINEMetaCyc
Registry NumbersSources
Reaxys:1721410Reaxys
CAS:3981-36-0ChemIDplus