Chemical Components in the PDB

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8X3 : Summary

Code

8X3

One-letter code

X

Molecule name

2-hydroxyethylsulfonic acid

Synonyms

2-oxidanylethanesulfonic acid

Systematic names

ProgramVersionName
OpenEye OEToolkits 2.0.6 2-oxidanylethanesulfonic acid

Formula

C2 H6 O4 S

Formal charge

0

Molecular weight

126.132 Da

SMILES

TypeProgramVersionDescriptor
SMILES CACTVS 3.385 OCC[S](O)(=O)=O
SMILES OpenEye OEToolkits 2.0.6 C(CS(=O)(=O)O)O
Canonical SMILES CACTVS 3.385 OCC[S](O)(=O)=O
Canonical SMILES OpenEye OEToolkits 2.0.6 C(CS(=O)(=O)O)O

IUPAC InChI

InChI=1S/C2H6O4S/c3-1-2-7(4,5)6/h3H,1-2H2,(H,4,5,6)

IUPAC InChI key

SUMDYPCJJOFFON-UHFFFAOYSA-N
8X3

wwPDB Information

Atom count

13 (7 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2017-10-30

Last modified at

2021-03-01

Status

Released

Obsoleted

Not Assigned