L-cysteine   Click here for help

GtoPdb Ligand ID: 4782

Abbreviated name: L-Cys
PDB Ligand
Compound class: Metabolite
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2D Structure
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Physico-chemical Properties
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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
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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-/m0/s1
InChI Key XUJNEKJLAYXESH-REOHCLBHSA-N
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Isomeric SMILES Download
InChI standard identifier Download
InChI standard key Download

Molecular structure representations generated using Open Babel