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Summary

Name:3-sulfo-D-alanine
Synonyms:D-Cysteine sulfinic acid
Formula:C3 H7 N O5 S
Formal charge:0
Molecular weight:169.156 Da
Component type:D-PEPTIDE LINKING

Chemical Identifiers

ProgramVersionName
ACDLabs10.043-sulfo-D-alanine
OpenEye OEToolkits1.5.0(2S)-2-amino-3-sulfo-propanoic acid

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04O=C(O)C(N)CS(=O)(=O)O
SMILES_CANONICALCACTVS3.341N[C@H](C[S](O)(=O)=O)C(O)=O
SMILESCACTVS3.341N[CH](C[S](O)(=O)=O)C(O)=O
SMILES_CANONICALOpenEye OEToolkits1.5.0C([C@H](C(=O)O)N)S(=O)(=O)O
SMILESOpenEye OEToolkits1.5.0C(C(C(=O)O)N)S(=O)(=O)O
InChIInChI1.03InChI=1S/C3H7NO5S/c4-2(3(5)6)1-10(7,8)9/h2H,1,4H2,(H,5,6)(H,7,8,9)/t2-/m1/s1
InChIKeyInChI1.03XVOYSCVBGLVSOL-UWTATZPHSA-N
169117
PDB entries from 2020-09-23