Chemical Components in the PDB

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PEO : Summary

Code

PEO

One-letter code

X

Molecule name

HYDROGEN PEROXIDE

Systematic names

ProgramVersionName
ACDLabs 10.04 hydrogen peroxide
OpenEye OEToolkits 1.5.0 hydrogen peroxide

Formula

H2 O2

Formal charge

0

Molecular weight

34.015 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 10.04 OO
SMILES CACTVS 3.341 OO
SMILES OpenEye OEToolkits 1.5.0 OO
Canonical SMILES CACTVS 3.341 OO
Canonical SMILES OpenEye OEToolkits 1.5.0 OO

IUPAC InChI

InChI=1S/H2O2/c1-2/h1-2H

IUPAC InChI key

MHAJPDPJQMAIIY-UHFFFAOYSA-N
PEO

wwPDB Information

Atom count

4 (2 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

1999-07-08

Last modified at

2011-06-04

Status

Released

Obsoleted

Not Assigned