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- ChemComp-H1T: [[[[bis($l^{1}-oxidanyl)-[$l^{1}-oxidanyl-[tris($l^{1}-oxidanyl)v... -

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Basic information

EntryDatabase: PDB chemical components / ID: H1T
NameName: [[[[bis($l^{1}-oxidanyl)-[$l^{1}-oxidanyl-[tris($l^{1}-oxidanyl)vanadiooxy]vanadio]oxy-vanadio]oxy-bis($l^{1}-oxidanyl)vanadio]oxy-oxidanylidene-vanadio]-[bis($l^{1}-oxidanyl)vanadio]-$l^{3}- ...Name: [[[[bis($l^{1}-oxidanyl)-[$l^{1}-oxidanyl-[tris($l^{1}-oxidanyl)vanadiooxy]vanadio]oxy-vanadio]oxy-bis($l^{1}-oxidanyl)vanadio]oxy-oxidanylidene-vanadio]-[bis($l^{1}-oxidanyl)vanadio]-$l^{3}-oxidanyl]-tetrakis($l^{1}-oxidanyl)vanadium

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Chemical information

Composition
Formula: O20V7 / Number of atoms: 27 / Formula weight: 676.579 / Formal charge: 0
Others

6hwr

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: H1T / Ideal coordinates details: Corina / Model coordinates PDB-ID: 6HWR
History
Create componentNov 5, 2018
Other modificationNov 5, 2018
Initial releaseApr 3, 2019
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.O.O.O.O.O.O.O.O.O.O.O.O.O.[V]O[V].[V]O[V]O[V]O[V]O[V]=O
OpenEye OEToolkits 2.0.6O=[V](O[V]([O])([O])O[V]([O])([O])O[V]([O])O[V]([O])([O])[O])O([V]([O])[O])[V]([O])([O])([O])[O]

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SMILES CANONICAL

CACTVS 3.385O.O.O.O.O.O.O.O.O.O.O.O.O.O.[V]O[V].[V]O[V]O[V]O[V]O[V]=O
OpenEye OEToolkits 2.0.6O=[V](O[V]([O])([O])O[V]([O])([O])O[V]([O])O[V]([O])([O])[O])O([V]([O])[O])[V]([O])([O])([O])[O]

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InChI

InChI 1.03InChI=1S/14H2O.6O.7V/h14*1H2;;;;;;;;;;;;;/q;;;;;;;;;;;;;;;;;;;;;+1;3*+2;+3;+4/p-14

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InChIKey

InChI 1.03MFPKOXVPJRIEPC-UHFFFAOYSA-A

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PDB entries

Showing all 1 items

PDB-6hwr:
Red kidney bean purple acid phosphatase in complex with adenosine divanadate

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