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PSY : Summary

Code

PSY

One-letter code

X

Molecule name

phenyl ethenesulfonate

Systematic names

ProgramVersionName
ACDLabs 10.04 phenyl ethenesulfonate
OpenEye OEToolkits 1.5.0 phenyl ethenesulfonate

Formula

C8 H8 O3 S

Formal charge

0

Molecular weight

184.212 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 10.04 O=S(=O)(Oc1ccccc1)\C=C
SMILES CACTVS 3.341 C=C[S](=O)(=O)Oc1ccccc1
SMILES OpenEye OEToolkits 1.5.0 C=CS(=O)(=O)Oc1ccccc1
Canonical SMILES CACTVS 3.341 C=C[S](=O)(=O)Oc1ccccc1
Canonical SMILES OpenEye OEToolkits 1.5.0 C=CS(=O)(=O)Oc1ccccc1

IUPAC InChI

InChI=1S/C8H8O3S/c1-2-12(9,10)11-8-6-4-3-5-7-8/h2-7H,1H2

IUPAC InChI key

CILDJVVXNMDAGY-UHFFFAOYSA-N
PSY

wwPDB Information

Atom count

20 (12 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2007-12-14

Last modified at

2024-09-27

Status

Released

Obsoleted

Not Assigned