Chemical Components in the PDB

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VNW : Summary

Code

VNW

One-letter code

X

Molecule name

8-azanyl-4-methylselanyl-quinoline-2-carboxylic acid

Systematic names

ProgramVersionName
OpenEye OEToolkits 2.0.7 8-azanyl-4-methylselanyl-quinoline-2-carboxylic acid

Formula

C11 H10 N2 O2 Se

Formal charge

0

Molecular weight

281.169 Da

SMILES

TypeProgramVersionDescriptor
SMILES CACTVS 3.385 C[Se]c1cc(nc2c(N)cccc12)C(O)=O
SMILES OpenEye OEToolkits 2.0.7 C[Se]c1cc(nc2c1cccc2N)C(=O)O
Canonical SMILES CACTVS 3.385 C[Se]c1cc(nc2c(N)cccc12)C(O)=O
Canonical SMILES OpenEye OEToolkits 2.0.7 C[Se]c1cc(nc2c1cccc2N)C(=O)O

IUPAC InChI

InChI=1S/C11H10N2O2Se/c1-16-9-5-8(11(14)15)13-10-6(9)3-2-4-7(10)12/h2-5H,12H2,1H3,(H,14,15)

IUPAC InChI key

XNDKSZNZLHRFIR-UHFFFAOYSA-N
VNW

wwPDB Information

Atom count

26 (16 without Hydrogen)

Polymer type

Amino Acid

Type description

peptide linking

Type code

ATOMP

Is modified

No

Standard parent

Not Assigned

Defined at

2023-09-14

Last modified at

2024-09-27

Status

Released

Obsoleted

Not Assigned