Chemical Components in the PDB

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PYG : Summary

Code

PYG

One-letter code

X

Molecule name

BENZENE-1,2,3-TRIOL

Synonyms

PYROGALLOL

Systematic names

ProgramVersionName
ACDLabs 10.04 benzene-1,2,3-triol
OpenEye OEToolkits 1.5.0 benzene-1,2,3-triol

Formula

C6 H6 O3

Formal charge

0

Molecular weight

126.11 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 10.04 Oc1cccc(O)c1O
SMILES CACTVS 3.341 Oc1cccc(O)c1O
SMILES OpenEye OEToolkits 1.5.0 c1cc(c(c(c1)O)O)O
Canonical SMILES CACTVS 3.341 Oc1cccc(O)c1O
Canonical SMILES OpenEye OEToolkits 1.5.0 c1cc(c(c(c1)O)O)O

IUPAC InChI

InChI=1S/C6H6O3/c7-4-2-1-3-5(8)6(4)9/h1-3,7-9H

IUPAC InChI key

WQGWDDDVZFFDIG-UHFFFAOYSA-N
PYG

wwPDB Information

Atom count

15 (9 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2004-07-27

Last modified at

2021-03-01

Status

Released

Obsoleted

Not Assigned