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- ChemComp-KEG: 12-TUNGSTOPHOSPHATE -

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ID or keywords:

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Basic information

EntryDatabase: PDB chemical components / ID: KEG
NameName: 12-tungstophosphate

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Chemical information

Composition
Formula: O40PW12 / Number of atoms: 53 / Formula weight: 2877.03 / Formal charge: 0
Others

1n7d

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: KEG / Ideal coordinates details: Corina / Model coordinates PDB-ID: 1N7D / Ambiguous flag: Yes
History
Create componentDec 23, 2002
Modify descriptorSep 23, 2023
External linksUniChem / ChemSpider / Wikipedia search / Google search

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Structure visualization

Structure viewerMolecule:
MolmilJmol/JSmol

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Details

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SMILES

CACTVS 3.385O=[W]1234O[W]567(=O)O[W]89(=O)(O1)O[W]%10%11%12(=O)O[W]%13%14(=O)(O2)O[W]%15%16(=O)(O3)O[W]%17%18(=O)(O5)O[W]%19%20(=O)(O6)O[W]%21(=O)(O8)(O%10)O[W]%22%23(=O)(O%19)O[W]%24(=O)(O%15)(O%17)O[W](=O)(O%13)(O%11)(O%22)[O]%12%14[P]([O]479)([O]%16%18%24)[O]%20%21%23
OpenEye OEToolkits 2.0.7O=[W]1234O[W]567(=O)O18[P]91O%10%11[W]%12%13(=O)(O2)O[W]%102(=O)(O5)O[W]%115(=O)(O%12)O[W]%10%11%12(=O)O99[W](=O)(O%10)(O3)(O%13)O[W]93(=O)(O%11)O[W]8(=O)(O4)(O6)O[W]46(=O)(O3)O11[W](=O)(O4)(O7)(O2)O[W]1(=O)(O6)(O5)O%12

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SMILES CANONICAL

CACTVS 3.385O=[W]1234O[W]567(=O)O[W]89(=O)(O1)O[W]%10%11%12(=O)O[W]%13%14(=O)(O2)O[W]%15%16(=O)(O3)O[W]%17%18(=O)(O5)O[W]%19%20(=O)(O6)O[W]%21(=O)(O8)(O%10)O[W]%22%23(=O)(O%19)O[W]%24(=O)(O%15)(O%17)O[W](=O)(O%13)(O%11)(O%22)[O]%12%14[P]([O]479)([O]%16%18%24)[O]%20%21%23
OpenEye OEToolkits 2.0.7O=[W]1234O[W]567(=O)O18[P]91O%10%11[W]%12%13(=O)(O2)O[W]%102(=O)(O5)O[W]%115(=O)(O%12)O[W]%10%11%12(=O)O99[W](=O)(O%10)(O3)(O%13)O[W]93(=O)(O%11)O[W]8(=O)(O4)(O6)O[W]46(=O)(O3)O11[W](=O)(O4)(O7)(O2)O[W]1(=O)(O6)(O5)O%12

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InChI

InChI 1.06InChI=1S/HO4P.36O.12W/c1-5(2,3)4;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h5H;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

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InChIKey

InChI 1.06WLQKSSFZMDTTCM-UHFFFAOYSA-N

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PDB entries

Showing all 4 items

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Extracellular domain of the LDL receptor

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Crystal structure of the human small CTD phosphatase 3 isoform 1

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Crystal structure of the THO-Sub2 complex

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Crystal structure of UraA in occluded conformation

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