Chemical Components in the PDB

pdbe.org/chem
spacer

CYN : Summary

Code

CYN

One-letter code

X

Molecule name

CYANIDE ION

Systematic names

ProgramVersionName
ACDLabs 10.04 cyanide
OpenEye OEToolkits 1.5.0 cyanide

Formula

C N

Formal charge

-1

Molecular weight

26.017 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 10.04 [C-]#N
SMILES CACTVS 3.341 [C-]#N
SMILES OpenEye OEToolkits 1.5.0 [C-]#N
Canonical SMILES CACTVS 3.341 [C-]#N
Canonical SMILES OpenEye OEToolkits 1.5.0 [C-]#N

IUPAC InChI

InChI=1S/CN/c1-2/q-1

IUPAC InChI key

XFXPMWWXUTWYJX-UHFFFAOYSA-N
CYN

wwPDB Information

Atom count

2 (2 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAI

Is modified

No

Standard parent

Not Assigned

Defined at

1999-07-08

Last modified at

2011-06-04

Status

Released

Obsoleted

Not Assigned