Chemical Components in the PDB

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PYF : Summary

Code

PYF

One-letter code

X

Molecule name

3-PYRIDINYLCARBINOL

Systematic names

ProgramVersionName
ACDLabs 10.04 pyridin-3-ylmethanol
OpenEye OEToolkits 1.5.0 pyridin-3-ylmethanol

Formula

C6 H7 N O

Formal charge

0

Molecular weight

109.126 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 10.04 OCc1cccnc1
SMILES CACTVS 3.341 OCc1cccnc1
SMILES OpenEye OEToolkits 1.5.0 c1cc(cnc1)CO
Canonical SMILES CACTVS 3.341 OCc1cccnc1
Canonical SMILES OpenEye OEToolkits 1.5.0 c1cc(cnc1)CO

IUPAC InChI

InChI=1S/C6H7NO/c8-5-6-2-1-3-7-4-6/h1-4,8H,5H2

IUPAC InChI key

MVQVNTPHUGQQHK-UHFFFAOYSA-N
PYF

wwPDB Information

Atom count

15 (8 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2003-09-29

Last modified at

2020-06-17

Status

Released

Obsoleted

Not Assigned