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- ChemComp-8P0: pyrene -

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Basic information

EntryDatabase: PDB chemical components / ID: 8P0
NameName: pyrene

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Chemical information

Composition
Formula: C16H10 / Number of atoms: 26 / Formula weight: 202.251 / Formal charge: 0
Others

5vh0

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: 8P0 / Ideal coordinates details: Corina / Model coordinates PDB-ID: 5VH0
History
Create componentApr 13, 2017
Initial releaseApr 25, 2018
External linksUniChem / ChemSpider / BindingDB / Brenda / ChEBI / ChEMBL / ChemicalBook / CompTox / HMDB / KEGG_Ligand / NMRShiftDB / Nikkaji / PubChem / PubChem_TPharma / SureChEMBL / ZINC / Wikipedia search / Google search

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Structure visualization

Structure viewerMolecule:
MolmilJmol/JSmol

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Details

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SMILES

ACDLabs 12.01c1cc4c3c(c1)ccc2cccc(c23)cc4
CACTVS 3.385c1cc2ccc3cccc4ccc(c1)c2c34
OpenEye OEToolkits 2.0.6c1cc2ccc3cccc4c3c2c(c1)cc4

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SMILES CANONICAL

CACTVS 3.385c1cc2ccc3cccc4ccc(c1)c2c34
OpenEye OEToolkits 2.0.6c1cc2ccc3cccc4c3c2c(c1)cc4

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InChI

InChI 1.03InChI=1S/C16H10/c1-3-11-7-9-13-5-2-6-14-10-8-12(4-1)15(11)16(13)14/h1-10H

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InChIKey

InChI 1.03BBEAQIROQSPTKN-UHFFFAOYSA-N

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SYSTEMATIC NAME

ACDLabs 12.01pyrene
OpenEye OEToolkits 2.0.6pyrene

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PDB entries

Showing all 1 items

PDB-5vh0:
RHCC in complex with pyrene

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