Chemical Components in the PDB

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DVT : Summary

Code

DVT

One-letter code

X

Molecule name

DECAVANADATE

Systematic names

Not Assigned

Formula

O28 V10

Formal charge

-6

Molecular weight

957.398 Da

SMILES

TypeProgramVersionDescriptor
SMILES CACTVS 3.385 [O-][V-]1234O[V-]567([O-])O[V-]89([O-])(O1)[O+]%10[V-]%11%12%13([O-])O[V-]%14%15%16([O-])O[V-]%17%18([O-])(O%11)O[V-]%19%20([O-])(O%14)[O+]%21[V-]%22([O-])(O2)(O5)[O+]%19[V-]%23(O%17)([O+4]6)([O+]8%12)[O]379%22[V-]%10%21(O4)(O%15)[O+4]%13%16%18%20%23
SMILES OpenEye OEToolkits 1.7.6 [O-][V-]1234O[V-]567(O1891[V-]%10(O2)(O5)([O+]2[V-]858(O3)O[V-]3%11%12([O+4]55%13%14[V-]22(O3)([O+]%10[V-]953([O+4]6)O[V-]%13(O%11)(O2)(O[V-]%142(O%12)([O+]8[V-]1([O+]32)(O4)(O7)[O-])[O-])[O-])[O-])[O-])[O-])[O-]
Canonical SMILES CACTVS 3.385 [O-][V-]1234O[V-]567([O-])O[V-]89([O-])(O1)[O+]%10[V-]%11%12%13([O-])O[V-]%14%15%16([O-])O[V-]%17%18([O-])(O%11)O[V-]%19%20([O-])(O%14)[O+]%21[V-]%22([O-])(O2)(O5)[O+]%19[V-]%23(O%17)([O+4]6)([O+]8%12)[O]379%22[V-]%10%21(O4)(O%15)[O+4]%13%16%18%20%23
Canonical SMILES OpenEye OEToolkits 1.7.6 [O-][V-]1234O[V-]567(O1891[V-]%10(O2)(O5)([O+]2[V-]858(O3)O[V-]3%11%12([O+4]55%13%14[V-]22(O3)([O+]%10[V-]953([O+4]6)O[V-]%13(O%11)(O2)(O[V-]%142(O%12)([O+]8[V-]1([O+]32)(O4)(O7)[O-])[O-])[O-])[O-])[O-])[O-])[O-]

IUPAC InChI

InChI=1S/28O.10V/q;;;;;;;;;;;;;;8*-1;4*+1;2*+4;10*-1

IUPAC InChI key

WOYKCMUEHQAMTC-UHFFFAOYSA-N
DVT

wwPDB Information

Atom count

38 (38 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2005-09-01

Last modified at

2018-07-10

Status

Released

Obsoleted

Not Assigned