Chemical Components in the PDB

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SO4 : Summary

Code

SO4

One-letter code

X

Molecule name

SULFATE ION

Systematic names

ProgramVersionName
ACDLabs 10.04 sulfate
OpenEye OEToolkits 1.5.0 sulfate

Formula

O4 S

Formal charge

-2

Molecular weight

96.063 Da

SMILES

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

IUPAC InChI

InChI=1S/H2O4S/c1-5(2,3)4/h(H2,1,2,3,4)/p-2

IUPAC InChI key

QAOWNCQODCNURD-UHFFFAOYSA-L
SO4

wwPDB Information

Atom count

5 (5 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