Chemical Components in the PDB

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OEX : Summary

Code

OEX

One-letter code

X

Molecule name

CA-MN4-O5 CLUSTER

Systematic names

Not Assigned

Formula

Ca Mn4 O5

Formal charge

0

Molecular weight

339.827 Da

SMILES

TypeProgramVersionDescriptor
SMILES CACTVS 3.370 O12|[Ca]3O4|[Mn]1O5|[Mn]2[O]36[Mn]O[Mn]456
SMILES OpenEye OEToolkits 1.7.0 O1[Mn]O23[Mn]14O5[Ca]2O6[Mn]5O4[Mn]36
Canonical SMILES CACTVS 3.370 O12|[Ca]3O4|[Mn]1O5|[Mn]2[O]36[Mn]O[Mn@]456
Canonical SMILES OpenEye OEToolkits 1.7.0 O1[Mn][O@]23[Mn@@]14[O@]5[Ca]2[O@@]6[Mn]5[O@]4[Mn]36

IUPAC InChI

InChI=1S/Ca.4Mn.5O

IUPAC InChI key

SEXWDHMBWJEXOJ-UHFFFAOYSA-N
OEX

wwPDB Information

Atom count

10 (10 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2011-01-17

Last modified at

2011-04-15

Status

Released

Obsoleted

Not Assigned