Chemical Components in the PDB

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VTZ : Summary

Code

VTZ

One-letter code

X

Molecule name

1-methyl-2-ethyl-3-hydroxy-4(1H)-pyridinone)V(IV)O4

Systematic names

Not Assigned

Formula

C8 H10 N O6 V

Formal charge

0

Molecular weight

267.11 Da

SMILES

TypeProgramVersionDescriptor
SMILES CACTVS 3.385 CCC1=C2O[V+4]([O-])([O-])([O-])(=O)[O-]=C2C=CN1C
SMILES OpenEye OEToolkits 2.0.7 CCC1=C2C(=[O-][V+4](=O)(O2)([O-])([O-])[O-])C=CN1C
Canonical SMILES CACTVS 3.385 CCC1=C2O[V+4]([O-])([O-])([O-])(=O)[O-]=C2C=CN1C
Canonical SMILES OpenEye OEToolkits 2.0.7 CCC1=C2C(=[O-][V+4](=O)(O2)([O-])([O-])[O-])C=CN1C

IUPAC InChI

InChI=1S/C8H11NO2.4O.V/c1-3-6-8(11)7(10)4-5-9(6)2;;;;;/h4-5,11H,3H2,1-2H3;;;;;/q;;3*-1;+4/p-1

IUPAC InChI key

PNFKDCNTOXLWCD-UHFFFAOYSA-M
VTZ

wwPDB Information

Atom count

26 (16 without Hydrogen)

Polymer type

Bound ligand

Type description

non-polymer

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2023-03-31

Last modified at

2023-06-02

Status

Released

Obsoleted

Not Assigned