Chemical Components in the PDB

pdbe.org/chem
spacer

O : Summary

Code

O

One-letter code

X

Molecule name

OXYGEN ATOM

Systematic names

ProgramVersionName
ACDLabs 10.04 water
OpenEye OEToolkits 1.5.0 oxidane

Formula

O

Formal charge

0

Molecular weight

15.999 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 10.04 O
SMILES CACTVS 3.341 [O]
SMILES OpenEye OEToolkits 1.5.0 O
Canonical SMILES CACTVS 3.341 [O]
Canonical SMILES OpenEye OEToolkits 1.5.0 O

IUPAC InChI

InChI=1S/H2O/h1H2

IUPAC InChI key

XLYOFNOQVPJJNP-UHFFFAOYSA-N
O

wwPDB Information

Atom count

1 (1 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