J8B

Molybdate cluster

Created:	2019-02-09
Last modified:	2019-02-20

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1 entries where J8B is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	34
Chiral Atom Count	0
Bond Count	45
Aromatic Bond Count	0

2D diagram of J8B

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Chemical Component Summary
Name	Molybdate cluster
Formula	Mo₈ O₂₆
Molecular Weight	1,183.504
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	O.O.O.O.O.O.O.O.O.O.O.O.O.O.[Mo]O[Mo]12O[Mo]34O[Mo]5O[Mo]6O[Mo]7(O6)O[Mo](O5)[O]13[Mo](O7)(O2)O4
SMILES	OpenEye OEToolkits	2.0.7	[O][Mo]12(O[Mo]34(O1[Mo]56(O2[Mo]78(O59[Mo]1(O7)(O[Mo]2(O1[Mo]91(O8)(O2[Mo](O13)(O6)(O4)([O])[O])[O])([O])[O])([O])[O])([O])[O])[O])([O])[O])[O]
Canonical SMILES	CACTVS	3.385	O.O.O.O.O.O.O.O.O.O.O.O.O.O.[Mo]O[Mo]12O[Mo]34O[Mo]5O[Mo]6O[Mo]7(O6)O[Mo](O5)[O]13[Mo](O7)(O2)O4
Canonical SMILES	OpenEye OEToolkits	2.0.7	[O][Mo]12(O[Mo]34(O1[Mo]56(O2[Mo]78(O59[Mo]1(O7)(O[Mo]2(O1[Mo]91(O8)(O2[Mo](O13)(O6)(O4)([O])[O])[O])([O])[O])([O])[O])([O])[O])[O])([O])[O])[O]
InChI	InChI	1.03	InChI=1S/8Mo.14H2O.12O/h;;;;;;;;141H2;;;;;;;;;;;;/q2+1;6*+2;;;;;;;;;;;;;;;;;;;;;;;;;;/p-14
InChIKey	InChI	1.03	VDJFCWAFEZEUOL-UHFFFAOYSA-A

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.