OEY

CA-MN4-O6 CLUSTER

Created:	2017-01-04
Last modified:	2017-05-30

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28 entries where OEY is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	11
Chiral Atom Count	1
Bond Count	16
Aromatic Bond Count	0

2D diagram of OEY

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Chemical Component Summary
Name	CA-MN4-O6 CLUSTER
Formula	Ca Mn₄ O₆
Molecular Weight	355.827
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	O1[Mn]O[O]23[Ca]O[Mn]2(O[Mn]1)O[Mn]3
SMILES	OpenEye OEToolkits	2.0.6	O1O23[Ca]4O5[Mn]1O6[Mn]5O4[Mn]62O[Mn]3
Canonical SMILES	CACTVS	3.385	O1[Mn]O[O]23[Ca]O[Mn@]2(O[Mn]1)O[Mn]3
Canonical SMILES	OpenEye OEToolkits	2.0.6	O1O23[Ca]4O5[Mn]1O6[Mn]5O4[Mn]62O[Mn]3
InChI	InChI	1.03	InChI=1S/Ca.4Mn.O2.4O/c;;;;;1-2;;;;/q;;;;+1;-1;;;;
InChIKey	InChI	1.03	VXLJVOKMVCJEPF-UHFFFAOYSA-N

RCSB PDB Core Operations are funded by the U.S. National Science Foundation (DBI-2321666), the US Department of Energy (DE-SC0019749), and the National Cancer Institute, National Institute of Allergy and Infectious Diseases, and National Institute of General Medical Sciences of the National Institutes of Health under grant R01GM157729.