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- ChemComp-PJ8: heptadecane -

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Basic information

EntryDatabase: PDB chemical components / ID: PJ8
NameName: heptadecane

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Chemical information

Composition
Formula: C17H36 / Number of atoms: 53 / Formula weight: 240.468 / Formal charge: 0
Others

6yrz

Type: non-polymer / PDB classification: HETAIN / Three letter code: PJ8 / Ideal coordinates details: Corina / Model coordinates PDB-ID: 6YRZ
History
Create componentApr 20, 2020
Initial releaseApr 21, 2021
External linksUniChem / ChemSpider / Brenda / ChEBI / ChEMBL / ChemicalBook / CompTox / HMDB / KEGG_Ligand / LipidMaps / Metabolights / NMRShiftDB / Nikkaji / PubChem / PubChem_TPharma / Rhea / 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

CACTVS 3.385CCCCCCCCCCCCCCCCC
OpenEye OEToolkits 2.0.7CCCCCCCCCCCCCCCCC

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SMILES CANONICAL

CACTVS 3.385CCCCCCCCCCCCCCCCC
OpenEye OEToolkits 2.0.7CCCCCCCCCCCCCCCCC

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InChI

InChI 1.03InChI=1S/C17H36/c1-3-5-7-9-11-13-15-17-16-14-12-10-8-6-4-2/h3-17H2,1-2H3

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InChIKey

InChI 1.03NDJKXXJCMXVBJW-UHFFFAOYSA-N

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PDB entries

Showing all 3 items

PDB-6yrv:
Crystal structure of FAP after illumination at 100K

PDB-6yrz:
Crystal structure of FAP et pH 8.5 after illumination at 150K

PDB-7sv7:
The complex of phosphorylated human cystic fibrosis transmembrane conductance regulator (CFTR) with ATP/Mg and Tezacaftor (VX-661)

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