Chemical Components in the PDB

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SO2 : Summary

Code

SO2

One-letter code

X

Molecule name

SULFUR DIOXIDE

Systematic names

ProgramVersionName
ACDLabs 10.04 oxosulfane oxide
OpenEye OEToolkits 1.5.0 sulfur dioxide

Formula

O2 S

Formal charge

0

Molecular weight

64.064 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 10.04 O=S=O
SMILES CACTVS 3.341 O=[S]=O
SMILES OpenEye OEToolkits 1.5.0 O=S=O
Canonical SMILES CACTVS 3.341 O=[S]=O
Canonical SMILES OpenEye OEToolkits 1.5.0 O=S=O

IUPAC InChI

InChI=1S/O2S/c1-3-2

IUPAC InChI key

RAHZWNYVWXNFOC-UHFFFAOYSA-N
SO2

wwPDB Information

Atom count

3 (3 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

1999-07-08

Last modified at

2011-06-04

Status

Released

Obsoleted

Not Assigned