2-amino-3-sulfinopropanoic acid   Click here for help

GtoPdb Ligand ID: 4695

Synonyms: 3-sulfinoalanine | cysteine sulfinate
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)CC(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)
InChI Key ADVPTQAUNPRNPO-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
2-amino-3-sulfinopropanoic acid
Synonyms Click here for help
3-sulfinoalanine | cysteine sulfinate
Database Links Click here for help
CAS Registry No. 2381-08-0
ChEMBL Ligand CHEMBL1702607
GtoPdb PubChem SID 178101408
PubChem CID 109
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