L-cysteine sulphinic acid   Click here for help

GtoPdb Ligand ID: 5447

Abbreviated name: L-CSA
Synonyms: cysteine sulfinic acid | L-cysteine sulfinic acid
PDB Ligand
Compound class: Synthetic organic
2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 5
Hydrogen bond donors 3
Rotatable bonds 3
Topological polar surface area 119.83
Molecular weight 153.01
XLogP -5.24
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES OS(=O)CC(C(=O)O)N
Isomeric SMILES OS(=O)C[C@@H](C(=O)O)N
InChI InChI=1S/C3H7NO4S/c4-2(3(5)6)1-9(7)8/h2H,1,4H2,(H,5,6)(H,7,8)/t2-/m0/s1
InChI Key ADVPTQAUNPRNPO-REOHCLBHSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
(2R)-2-amino-3-sulfinopropanoic acid
Synonyms Click here for help
cysteine sulfinic acid | L-cysteine sulfinic acid
Database Links Click here for help
ChEMBL Ligand CHEMBL1160508
GtoPdb PubChem SID 178102098
PubChem CID 1549098
RCSB PDB Ligand CSD, CSW
Search Google for chemical match using the InChIKey ADVPTQAUNPRNPO-REOHCLBHSA-N
Search Google for chemicals with the same backbone ADVPTQAUNPRNPO
Search UniChem for chemical match using the InChIKey ADVPTQAUNPRNPO-REOHCLBHSA-N
Search UniChem for chemicals with the same backbone ADVPTQAUNPRNPO
Wikipedia Cysteine_sulfinic_acid

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Tocris
L-Cysteinesulfinic acid
Cat. No. 0216