D-cysteine   

GtoPdb Ligand ID: 4537

Abbreviated name: D-Cys
2D Structure
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Physico-chemical Properties
Hydrogen bond acceptors 3
Hydrogen bond donors 2
Rotatable bonds 2
Topological polar surface area 102.12
Molecular weight 121.02
XLogP -2.58
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
Canonical SMILES NC(C(=O)O)CS
Isomeric SMILES N[C@@H](C(=O)O)CS
InChI InChI=1S/C3H7NO2S/c4-2(1-7)3(5)6/h2,7H,1,4H2,(H,5,6)/t2-/m1/s1
InChI Key XUJNEKJLAYXESH-UWTATZPHSA-N
Classification
Compound class Metabolite or derivative
IUPAC Name
(2S)-2-amino-3-sulfanylpropanoic acid
Database Links
CAS Registry No. 921-01-7 (source: Scifinder)
ChEBI CHEBI:16375
ChEMBL Ligand CHEMBL171281
GtoPdb PubChem SID 178101258
PubChem CID 92851
RCSB PDB Ligand DCY
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