Chemical Components in the PDB

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AN3 : Summary

Code

AN3

One-letter code

X

Molecule name

ANTHRACENE

Systematic names

ProgramVersionName
ACDLabs 10.04 anthracene
OpenEye OEToolkits 1.5.0 anthracene

Formula

C14 H10

Formal charge

0

Molecular weight

178.229 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 10.04 c3ccc2cc1ccccc1cc2c3
SMILES CACTVS 3.341 c1ccc2cc3ccccc3cc2c1
SMILES OpenEye OEToolkits 1.5.0 c1ccc2cc3ccccc3cc2c1
Canonical SMILES CACTVS 3.341 c1ccc2cc3ccccc3cc2c1
Canonical SMILES OpenEye OEToolkits 1.5.0 c1ccc2cc3ccccc3cc2c1

IUPAC InChI

InChI=1S/C14H10/c1-2-6-12-10-14-8-4-3-7-13(14)9-11(12)5-1/h1-10H

IUPAC InChI key

MWPLVEDNUUSJAV-UHFFFAOYSA-N
AN3

wwPDB Information

Atom count

24 (14 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2006-07-13

Last modified at

2011-06-04

Status

Released

Obsoleted

Not Assigned