Chemical Components in the PDB

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SO3 : Summary

Code

SO3

One-letter code

X

Molecule name

SULFITE ION

Systematic names

ProgramVersionName
ACDLabs 10.04 sulfite
OpenEye OEToolkits 1.5.0 sulfite

Formula

O3 S

Formal charge

-2

Molecular weight

80.063 Da

SMILES

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

IUPAC InChI

InChI=1S/H2O3S/c1-4(2)3/h(H2,1,2,3)/p-2

IUPAC InChI key

LSNNMFCWUKXFEE-UHFFFAOYSA-L
SO3

wwPDB Information

Atom count

4 (4 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAI

Is modified

No

Standard parent

Not Assigned

Defined at

1999-07-08

Last modified at

2011-06-04

Status

Released

Obsoleted

Not Assigned