Chemical Components in the PDB

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VUO : Summary

Code

VUO

One-letter code

X

Molecule name

6-oxidanyl-1,3-benzoxathiol-2-one

Systematic names

ProgramVersionName
OpenEye OEToolkits 2.0.7 6-oxidanyl-1,3-benzoxathiol-2-one

Formula

C7 H4 O3 S

Formal charge

0

Molecular weight

168.17 Da

SMILES

TypeProgramVersionDescriptor
SMILES CACTVS 3.385 Oc1ccc2SC(=O)Oc2c1
SMILES OpenEye OEToolkits 2.0.7 c1cc2c(cc1O)OC(=O)S2
Canonical SMILES CACTVS 3.385 Oc1ccc2SC(=O)Oc2c1
Canonical SMILES OpenEye OEToolkits 2.0.7 c1cc2c(cc1O)OC(=O)S2

IUPAC InChI

InChI=1S/C7H4O3S/c8-4-1-2-6-5(3-4)10-7(9)11-6/h1-3,8H

IUPAC InChI key

SLYPOVJCSQHITR-UHFFFAOYSA-N
VUO

wwPDB Information

Atom count

15 (11 without Hydrogen)

Polymer type

Bound ligand

Type description

non-polymer

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2023-04-05

Last modified at

2023-07-07

Status

Released

Obsoleted

Not Assigned