Chemical Components in the PDB

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PZE : Summary

Code

PZE

One-letter code

X

Molecule name

piperazine

Systematic names

ProgramVersionName
ACDLabs 12.01 piperazine
OpenEye OEToolkits 1.7.0 piperazine

Formula

C4 H10 N2

Formal charge

0

Molecular weight

86.136 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 N1CCNCC1
SMILES CACTVS 3.370 C1CNCCN1
SMILES OpenEye OEToolkits 1.7.0 C1CNCCN1
Canonical SMILES CACTVS 3.370 C1CNCCN1
Canonical SMILES OpenEye OEToolkits 1.7.0 C1CNCCN1

IUPAC InChI

InChI=1S/C4H10N2/c1-2-6-4-3-5-1/h5-6H,1-4H2

IUPAC InChI key

GLUUGHFHXGJENI-UHFFFAOYSA-N
PZE

wwPDB Information

Atom count

16 (6 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2011-02-01

Last modified at

2011-06-04

Status

Released

Obsoleted

Not Assigned