J7T

molybdate cluster

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

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1 entries where J7T is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	40
Chiral Atom Count	0
Bond Count	51
Aromatic Bond Count	0

2D diagram of J7T

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Chemical Component Summary
Name	molybdate cluster
Formula	Mo₉ O₃₁
Molecular Weight	1,359.441
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.O.O.O.O.[Mo]O[Mo]1O[Mo]2O[Mo]3O[Mo]4(O1)O[Mo]56O[Mo](O[Mo]7O[Mo](O7)(O5)O6)[O]234
SMILES	OpenEye OEToolkits	2.0.7	[O][Mo]([O])([O])O[Mo]12(O[Mo]34(O1[Mo]567(O2[Mo]89(O5[Mo]1(O8)(O[Mo]2(O1[Mo]1(O63[Mo](O12)(O4)(O7)([O])[O])(O9)[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.O.O.O.O.[Mo]O[Mo]1O[Mo]2O[Mo]3O[Mo]4(O1)O[Mo]56O[Mo](O[Mo]7O[Mo](O7)(O5)O6)[O]234
Canonical SMILES	OpenEye OEToolkits	2.0.7	[O][Mo]([O])([O])O[Mo]12(O[Mo]34(O1[Mo]567(O2[Mo]89(O5[Mo]1(O8)(O[Mo]2(O1[Mo]1(O63[Mo](O12)(O4)(O7)([O])[O])(O9)[O])([O])([O])[O])([O])[O])([O])[O])[O])([O])[O])([O])[O]
InChI	InChI	1.03	InChI=1S/9Mo.18H2O.13O/h;;;;;;;;;181H2;;;;;;;;;;;;;/q2+1;5+2;2+3;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/p-18
InChIKey	InChI	1.03	OPVBNKHERKYGEI-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.