Chemical Components in the PDB

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VV6 : Summary

Code

VV6

One-letter code

X

Molecule name

[[[[bis(oxidanyl)-[tris(oxidanyl)vanadiooxy]vanadio]oxy-bis(oxidanyl)vanadio]-oxidanylidene-vanadio]oxy-oxidanyl-vanadio]oxy-tetrakis(oxidanyl)vanadium

Systematic names

ProgramVersionName
OpenEye OEToolkits 2.0.7 [[[[bis(oxidanyl)-[tris(oxidanyl)vanadiooxy]vanadio]oxy-bis(oxidanyl)vanadio]-oxidanylidene-vanadio]oxy-oxidanyl-vanadio]oxy-tetrakis(oxidanyl)vanadium

Formula

H12 O17 V6

Formal charge

0

Molecular weight

589.734 Da

SMILES

TypeProgramVersionDescriptor
SMILES CACTVS 3.385 O[V](O)O[V](O)(O)O[V](O)(O)O.O[V](O[V]=O)O[V](O)(O)(O)O
SMILES OpenEye OEToolkits 2.0.7 O[V](O[V](=O)[V](O)(O)O[V](O)(O)O[V](O)(O)O)O[V](O)(O)(O)O
Canonical SMILES CACTVS 3.385 O[V](O)O[V](O)(O)O[V](O)(O)O.O[V](O[V]=O)O[V](O)(O)(O)O
Canonical SMILES OpenEye OEToolkits 2.0.7 O[V](O[V](=O)[V](O)(O)O[V](O)(O)O[V](O)(O)O)O[V](O)(O)(O)O

IUPAC InChI

InChI=1S/12H2O.5O.6V/h12*1H2;;;;;;;;;;;/q;;;;;;;;;;;;;;;;;;+1;2*+2;+3;+4/p-12

IUPAC InChI key

JXGHONBPQWTYGF-UHFFFAOYSA-B
VV6

wwPDB Information

Atom count

35 (23 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2018-10-13

Last modified at

2019-03-29

Status

Released

Obsoleted

Not Assigned