Chemical Components in the PDB

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PZA : Summary

Code

PZA

One-letter code

X

Molecule name

PYRAZINE-2-CARBOXAMIDE

Synonyms

Pyrazinamide

Systematic names

ProgramVersionName
ACDLabs 10.04 pyrazine-2-carboxamide
OpenEye OEToolkits 1.5.0 pyrazine-2-carboxamide

Formula

C5 H5 N3 O

Formal charge

0

Molecular weight

123.113 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 10.04 O=C(N)c1nccnc1
SMILES CACTVS 3.341 NC(=O)c1cnccn1
SMILES OpenEye OEToolkits 1.5.0 c1cnc(cn1)C(=O)N
Canonical SMILES CACTVS 3.341 NC(=O)c1cnccn1
Canonical SMILES OpenEye OEToolkits 1.5.0 c1cnc(cn1)C(=O)N

IUPAC InChI

InChI=1S/C5H5N3O/c6-5(9)4-3-7-1-2-8-4/h1-3H,(H2,6,9)

IUPAC InChI key

IPEHBUMCGVEMRF-UHFFFAOYSA-N
PZA

wwPDB Information

Atom count

14 (9 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2004-09-06

Last modified at

2016-03-28

Status

Released

Obsoleted

Not Assigned