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- ChemComp-81K: (Z)-hexadec-9-enal -

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Basic information

EntryDatabase: PDB chemical components / ID: 81K
NameName: (Z)-hexadec-9-enal

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Chemical information

Composition
Formula: C16H30O / Number of atoms: 47 / Formula weight: 238.409 / Formal charge: 0
Others

7vwa

Type: non-polymer / PDB classification: HETAIN / Three letter code: 81K / Ideal coordinates details: Corina / Model coordinates PDB-ID: 7VWA
History
Create componentNov 11, 2021
Initial releaseFeb 2, 2022
External linksUniChem / ChemSpider / Brenda / ChEBI / ChemicalBook / CompTox / LipidMaps / 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

CACTVS 3.385CCCCCCC=CCCCCCCCC=O
OpenEye OEToolkits 2.0.7CCCCCCC=CCCCCCCCC=O

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SMILES CANONICAL

CACTVS 3.385CCCCCC\C=C/CCCCCCCC=O
OpenEye OEToolkits 2.0.7CCCCCC/C=C\CCCCCCCC=O

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InChI

InChI 1.03InChI=1S/C16H30O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17/h7-8,16H,2-6,9-15H2,1H3/b8-7-

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InChIKey

InChI 1.03QFPVVMKZTVQDTL-FPLPWBNLSA-N

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PDB entries

Showing all 1 items

PDB-7vwa:
Helicoverpa armigera pheromone-binding protein PBP1 with Z-9-hexadecenal

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