Chemical Components in the PDB

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SAT : Summary

Code

SAT

One-letter code

X

Molecule name

sulfoacetic acid

Systematic names

ProgramVersionName
ACDLabs 10.04 sulfoacetic acid
OpenEye OEToolkits 1.5.0 2-sulfoethanoic acid

Formula

C2 H4 O5 S

Formal charge

0

Molecular weight

140.115 Da

SMILES

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

IUPAC InChI

InChI=1S/C2H4O5S/c3-2(4)1-8(5,6)7/h1H2,(H,3,4)(H,5,6,7)

IUPAC InChI key

AGGIJOLULBJGTQ-UHFFFAOYSA-N
SAT

wwPDB Information

Atom count

12 (8 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2007-10-18

Last modified at

2011-06-04

Status

Released

Obsoleted

Not Assigned