Chemical Components in the PDB

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GQV : Summary

Code

GQV

One-letter code

X

Molecule name

1-methyl-3-oxidanyl-pyridin-2-one

Systematic names

ProgramVersionName
OpenEye OEToolkits 2.0.6 1-methyl-3-oxidanyl-pyridin-2-one

Formula

C6 H7 N O2

Formal charge

0

Molecular weight

125.125 Da

SMILES

TypeProgramVersionDescriptor
SMILES CACTVS 3.385 CN1C=CC=C(O)C1=O
SMILES OpenEye OEToolkits 2.0.6 CN1C=CC=C(C1=O)O
Canonical SMILES CACTVS 3.385 CN1C=CC=C(O)C1=O
Canonical SMILES OpenEye OEToolkits 2.0.6 CN1C=CC=C(C1=O)O

IUPAC InChI

InChI=1S/C6H7NO2/c1-7-4-2-3-5(8)6(7)9/h2-4,8H,1H3

IUPAC InChI key

QUKDWRYJPHUXQR-UHFFFAOYSA-N
GQV

wwPDB Information

Atom count

16 (9 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2018-05-31

Last modified at

2018-12-14

Status

Released

Obsoleted

Not Assigned