Chemical Components in the PDB

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5NS : Summary

Code

5NS

One-letter code

X

Molecule name

5-aminonaphthalene-1-sulfonic acid

Systematic names

ProgramVersionName
ACDLabs 10.04 5-aminonaphthalene-1-sulfonic acid
OpenEye OEToolkits 1.5.0 5-aminonaphthalene-1-sulfonic acid

Formula

C10 H9 N O3 S

Formal charge

0

Molecular weight

223.248 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 10.04 O=S(=O)(O)c1cccc2c1cccc2N
SMILES CACTVS 3.341 Nc1cccc2c1cccc2[S](O)(=O)=O
SMILES OpenEye OEToolkits 1.5.0 c1cc2c(cccc2S(=O)(=O)O)c(c1)N
Canonical SMILES CACTVS 3.341 Nc1cccc2c1cccc2[S](O)(=O)=O
Canonical SMILES OpenEye OEToolkits 1.5.0 c1cc2c(cccc2S(=O)(=O)O)c(c1)N

IUPAC InChI

InChI=1S/C10H9NO3S/c11-9-5-1-4-8-7(9)3-2-6-10(8)15(12,13)14/h1-6H,11H2,(H,12,13,14)

IUPAC InChI key

DQNAQOYOSRJXFZ-UHFFFAOYSA-N
5NS

wwPDB Information

Atom count

24 (15 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2008-03-13

Last modified at

2011-06-04

Status

Released

Obsoleted

Not Assigned