IHW

tungstate cluster

Created:	2022-03-21
Last modified:	2022-08-22

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1 entries where IHW is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	74
Chiral Atom Count	0
Bond Count	98
Aromatic Bond Count	0

2D diagram of IHW

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Chemical Component Summary
Name	tungstate cluster
Formula	O₅₈ W₁₆
Molecular Weight	3,869.405
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.O.O.O1[W]2O[W]345O[W]16(O[W]78O[W]9%10(O7)O[W]%11%12%13O[W]%14%15O[W]%16%17%18O[W](O8)(O%11)(O%12)O[W]%19(O6)(O%16)O[W]%20(O3)(O[W](O%14)(O%17)(O%18)O[W]%21%22(O[W]%23(O2)(O4)O[W](O%23)(O9)(O%10)O[W](O%15)(O%13)(O%21)O%22)O%20)O%19)O5
SMILES	OpenEye OEToolkits	2.0.7	[O][W]123(O[W]456(O[W]789(O[W]%10%11(O7)(O[W]7%12%13(O[W]%14%15(O7)(O[W](O4)(O5)(O[W]45(O%14)(O[W]7(O6)(O8)(O4[W](O%10)(O%12)(O7)(O5)[O])[O])[O])(O[W]4(O1)(O2)(O[W]12(O%15)(O4[W]45(O[W]6(O3)(O9)(O[W](O%11)(O6)(O4)(O[W](O%13)(O5)(O1)(O2)[O])[O])[O])([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.O.O.O1[W]2O[W]345O[W]16(O[W]78O[W]9%10(O7)O[W]%11%12%13O[W]%14%15O[W]%16%17%18O[W](O8)(O%11)(O%12)O[W]%19(O6)(O%16)O[W]%20(O3)(O[W](O%14)(O%17)(O%18)O[W]%21%22(O[W]%23(O2)(O4)O[W](O%23)(O9)(O%10)O[W](O%15)(O%13)(O%21)O%22)O%20)O%19)O5
Canonical SMILES	OpenEye OEToolkits	2.0.7	[O][W]123(O[W]456(O[W]789(O[W]%10%11(O7)(O[W]7%12%13(O[W]%14%15(O7)(O[W](O4)(O5)(O[W]45(O%14)(O[W]7(O6)(O8)(O4[W](O%10)(O%12)(O7)(O5)[O])[O])[O])(O[W]4(O1)(O2)(O[W]12(O%15)(O4[W]45(O[W]6(O3)(O9)(O[W](O%11)(O6)(O4)(O[W](O%13)(O5)(O1)(O2)[O])[O])[O])([O])([O])[O])([O])[O])[O])[O])[O])[O])[O])[O])[O])[O]
InChI	InChI	1.06	InChI=1S/20H2O.38O.16W/h201H2;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/q;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;13+1;2*+2;+3/p-20
InChIKey	InChI	1.06	VFFFMWDLEIJLLW-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.