Chemical Components in the PDB

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CSU : Summary

Code

CSU

One-letter code

C

Molecule name

CYSTEINE-S-SULFONIC ACID

Systematic names

ProgramVersionName
ACDLabs 10.04 3-(sulfosulfanyl)-L-alanine
OpenEye OEToolkits 1.5.0 (2R)-2-amino-3-sulfosulfanyl-propanoic acid

Formula

C3 H7 N O5 S2

Formal charge

0

Molecular weight

201.221 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 10.04 O=S(=O)(O)SCC(C(=O)O)N
SMILES CACTVS 3.341 N[CH](CS[S](O)(=O)=O)C(O)=O
SMILES OpenEye OEToolkits 1.5.0 C(C(C(=O)O)N)SS(=O)(=O)O
Canonical SMILES CACTVS 3.341 N[C@@H](CS[S](O)(=O)=O)C(O)=O
Canonical SMILES OpenEye OEToolkits 1.5.0 C([C@@H](C(=O)O)N)SS(=O)(=O)O

IUPAC InChI

InChI=1S/C3H7NO5S2/c4-2(3(5)6)1-10-11(7,8)9/h2H,1,4H2,(H,5,6)(H,7,8,9)/t2-/m0/s1

IUPAC InChI key

NOKPBJYHPHHWAN-REOHCLBHSA-N
CSU

wwPDB Information

Atom count

18 (11 without Hydrogen)

Polymer type

Amino Acid

Type description

L-PEPTIDE LINKING

Type code

ATOMP

Is modified

Yes

Standard parent

CYS

Defined at

2000-08-22

Last modified at

2023-11-03

Status

Released

Obsoleted

Not Assigned