Chemical Components in the PDB

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SFO : Summary

Code

SFO

One-letter code

X

Molecule name

SULFONIC ACID

Systematic names

ProgramVersionName
ACD-LABS 4.04 sulfurous acid

Formula

H3 O3 S

Formal charge

0

Molecular weight

83.087 Da

SMILES

TypeProgramVersionDescriptor
SMILES CACTVS 3.385 O[SH](O)=O
SMILES OpenEye OEToolkits 2.0.7 O[SH](=O)O
Canonical SMILES CACTVS 3.385 O[SH](O)=O
Canonical SMILES OpenEye OEToolkits 2.0.7 O[SH](=O)O

IUPAC InChI

InChI=1S/H4O3S/c1-4(2)3/h4H2,(H2,1,2,3)

IUPAC InChI key

BESWYMJGRRXSAL-UHFFFAOYSA-N
SFO

wwPDB Information

Atom count

7 (4 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

2023-09-23

Status

Released

Obsoleted

Not Assigned