OEX

CA-MN4-O5 CLUSTER

Created:	2011-01-17
Last modified:	2011-01-17

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Chemical Details
Formal Charge	0
Atom Count	10
Chiral Atom Count	1
Bond Count	15
Aromatic Bond Count	0

2D diagram of OEX

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Chemical Component Summary
Name	CA-MN4-O5 CLUSTER
Formula	Ca Mn₄ O₅
Molecular Weight	339.827
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
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
InChI	InChI	1.02	InChI=1S/Ca.4Mn.5O
InChIKey	InChI	1.02	SEXWDHMBWJEXOJ-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.