Chemical Components in the PDB

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8SK : Summary

Code

8SK

One-letter code

X

Molecule name

benzo[a]pyren-3-ol

Systematic names

ProgramVersionName
OpenEye OEToolkits 2.0.6 benzo[a]pyren-3-ol

Formula

C20 H12 O

Formal charge

0

Molecular weight

268.309 Da

SMILES

TypeProgramVersionDescriptor
SMILES CACTVS 3.385 Oc1ccc2ccc3c4ccccc4cc5ccc1c2c35
SMILES OpenEye OEToolkits 2.0.6 c1ccc2c(c1)cc3ccc4c(ccc5c4c3c2cc5)O
Canonical SMILES CACTVS 3.385 Oc1ccc2ccc3c4ccccc4cc5ccc1c2c35
Canonical SMILES OpenEye OEToolkits 2.0.6 c1ccc2c(c1)cc3ccc4c(ccc5c4c3c2cc5)O

IUPAC InChI

InChI=1S/C20H12O/c21-18-10-7-12-5-8-16-15-4-2-1-3-13(15)11-14-6-9-17(18)19(12)20(14)16/h1-11,21H

IUPAC InChI key

SPUUWWRWIAEPDB-UHFFFAOYSA-N
8SK

wwPDB Information

Atom count

33 (21 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2017-03-02

Last modified at

2017-06-23

Status

Released

Obsoleted

Not Assigned