Chemical Components in the PDB

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ESA : Summary

Code

ESA

One-letter code

X

Molecule name

ETHANESULFONIC ACID

Systematic names

ProgramVersionName
ACDLabs 10.04 ethanesulfonic acid
OpenEye OEToolkits 1.5.0 ethanesulfonic acid

Formula

C2 H6 O3 S

Formal charge

0

Molecular weight

110.132 Da

SMILES

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

IUPAC InChI

InChI=1S/C2H6O3S/c1-2-6(3,4)5/h2H2,1H3,(H,3,4,5)

IUPAC InChI key

CCIVGXIOQKPBKL-UHFFFAOYSA-N
ESA

wwPDB Information

Atom count

12 (6 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2000-07-18

Last modified at

2011-06-04

Status

Released

Obsoleted

Not Assigned