Chemical Components in the PDB

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HOH : Summary

Code

HOH

One-letter code

X

Molecule name

WATER

Systematic names

ProgramVersionName
ACDLabs 10.04 water
OpenEye OEToolkits 1.5.0 oxidane

Formula

H2 O

Formal charge

0

Molecular weight

18.015 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
HOH

wwPDB Information

Atom count

3 (1 without Hydrogen)

Polymer type

Water

Type description

NON-POLYMER

Type code

HETAS

Is modified

No

Standard parent

Not Assigned

Defined at

1999-07-08

Last modified at

2011-06-04

Status

Released

Obsoleted

Not Assigned