Chemical Components in the PDB

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CQG : Summary

Code

CQG

One-letter code

X

Molecule name

pyridin-4-ol

Systematic names

ProgramVersionName
ACDLabs 12.01 pyridin-4-ol
OpenEye OEToolkits 2.0.6 pyridin-4-ol

Formula

C5 H5 N O

Formal charge

0

Molecular weight

95.099 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 c1cnccc1O
SMILES CACTVS 3.385 Oc1ccncc1
SMILES OpenEye OEToolkits 2.0.6 c1cnccc1O
Canonical SMILES CACTVS 3.385 Oc1ccncc1
Canonical SMILES OpenEye OEToolkits 2.0.6 c1cnccc1O

IUPAC InChI

InChI=1S/C5H5NO/c7-5-1-3-6-4-2-5/h1-4H,(H,6,7)

IUPAC InChI key

GCNTZFIIOFTKIY-UHFFFAOYSA-N
CQG

wwPDB Information

Atom count

12 (7 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2017-09-28

Last modified at

2018-09-28

Status

Released

Obsoleted

Not Assigned