Chemical Components in the PDB

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ANF : Summary

Code

ANF

One-letter code

X

Molecule name

ANTHRONE

Systematic names

ProgramVersionName
ACDLabs 10.04 anthracen-9-ol
OpenEye OEToolkits 1.5.0 anthracen-9-ol

Formula

C14 H10 O

Formal charge

0

Molecular weight

194.229 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 10.04 Oc2c3c(cc1c2cccc1)cccc3
SMILES CACTVS 3.341 Oc1c2ccccc2cc3ccccc13
SMILES OpenEye OEToolkits 1.5.0 c1ccc2c(c1)cc3ccccc3c2O
Canonical SMILES CACTVS 3.341 Oc1c2ccccc2cc3ccccc13
Canonical SMILES OpenEye OEToolkits 1.5.0 c1ccc2c(c1)cc3ccccc3c2O

IUPAC InChI

InChI=1S/C14H10O/c15-14-12-7-3-1-5-10(12)9-11-6-2-4-8-13(11)14/h1-9,15H

IUPAC InChI key

AUKRYONWZHRJRE-UHFFFAOYSA-N
ANF

wwPDB Information

Atom count

25 (15 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2005-02-04

Last modified at

2011-06-04

Status

Released

Obsoleted

Not Assigned