Chemical Components in the PDB

pdbe.org/chem
spacer

Explore the latest updates on our new PDBe-KB ligand pages, now with PDBeChem functionality and many more features.

XZA : Summary

Code

XZA

One-letter code

X

Molecule name

diazanecarboxylic acid

Systematic names

ProgramVersionName
OpenEye OEToolkits 2.0.5 diazanecarboxylic acid

Formula

C H4 N2 O2

Formal charge

0

Molecular weight

76.055 Da

SMILES

TypeProgramVersionDescriptor
SMILES CACTVS 3.385 NNC(O)=O
SMILES OpenEye OEToolkits 2.0.5 C(=O)(NN)O
Canonical SMILES CACTVS 3.385 NNC(O)=O
Canonical SMILES OpenEye OEToolkits 2.0.5 C(=O)(NN)O

IUPAC InChI

InChI=1S/CH4N2O2/c2-3-1(4)5/h3H,2H2,(H,4,5)

IUPAC InChI key

OWIUPIRUAQMTTK-UHFFFAOYSA-N
XZA

wwPDB Information

Atom count

9 (5 without Hydrogen)

Polymer type

Bound ligand

Type description

peptide-like

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2016-06-03

Last modified at

2024-09-27

Status

Released

Obsoleted

Not Assigned