Chemical Component Summary

Name3-chloro-D-alanine
Synonyms3-CHLOROALANINATE
Identifiers(2S)-2-azanyl-3-chloranyl-propanoic acid
FormulaC3 H6 Cl N O2
Molecular Weight123.538
TypeD-PEPTIDE LINKING
Isomeric SMILESC([C@H](C(=O)O)N)Cl
InChIInChI=1S/C3H6ClNO2/c4-1-2(5)3(6)7/h2H,1,5H2,(H,6,7)/t2-/m1/s1
InChIKeyASBJGPTTYPEMLP-UWTATZPHSA-N

Chemical Details

Formal Charge0
Atom Count13
Chiral Atom Count1
Bond Count12
Aromatic Bond Count0

Drug Info: DrugBank

DrugBank IDDB01735 
Name3-Chloroalaninate
Groups experimental
Synonyms3-Chloroalaninate

Drug Targets

NameTarget SequencePharmacological ActionActions
1-aminocyclopropane-1-carboxylate deaminaseMNLQRFPRYPLTFGPTPIQPLARLSKHLGGKVHLYAKREDCNSGLAFGGN...unknown
Drug Info/Drug Targets: DrugBank 3.0: a comprehensive resource for 'omics' research on drugs. Knox C, Law V, Jewison T, Liu P, Ly S, Frolkis A, Pon A, Banco K, Mak C, Neveu V, Djoumbou Y, Eisner R, Guo AC, Wishart DS. Nucleic Acids Res. 2011 Jan; 39 (Database issue):D1035-41. | PMID:21059682

Related Resource References

Resource NameReference
PubChem 5287866, 439771
ChEMBL CHEMBL295666
ChEBI CHEBI:17092, CHEBI:47291