Chemical Components in the PDB

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NPY : Summary

Code

NPY

One-letter code

X

Molecule name

NAPHTHALENE

Systematic names

ProgramVersionName
ACDLabs 10.04 naphthalene
OpenEye OEToolkits 1.5.0 naphthalene

Formula

C10 H8

Formal charge

0

Molecular weight

128.171 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 10.04 c12ccccc1cccc2
SMILES CACTVS 3.341 c1ccc2ccccc2c1
SMILES OpenEye OEToolkits 1.5.0 c1ccc2ccccc2c1
Canonical SMILES CACTVS 3.341 c1ccc2ccccc2c1
Canonical SMILES OpenEye OEToolkits 1.5.0 c1ccc2ccccc2c1

IUPAC InChI

InChI=1S/C10H8/c1-2-6-10-8-4-3-7-9(10)5-1/h1-8H

IUPAC InChI key

UFWIBTONFRDIAS-UHFFFAOYSA-N
NPY

wwPDB Information

Atom count

18 (10 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

1999-07-08

Last modified at

2011-06-04

Status

Released

Obsoleted

Not Assigned