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- ChemComp-8YP: decanal -

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Basic information

EntryDatabase: PDB chemical components / ID: 8YP
NameName: decanal

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Chemical information

Composition
Formula: C10H20O / Number of atoms: 31 / Formula weight: 156.265 / Formal charge: 0
Others

5u0l

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: 8YP / Ideal coordinates details: Corina / Model coordinates PDB-ID: 5U0L
History
Create componentMar 21, 2017
Initial releaseApr 26, 2017
External linksUniChem / ChemSpider / Brenda / ChEBI / ChEMBL / ChemicalBook / CompTox / HMDB / KEGG_Ligand / LipidMaps / Metabolights / NMRShiftDB / Nikkaji / PubChem / PubChem_TPharma / Rhea / SureChEMBL / SwissLipids / 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 12.01CCCCCCCCCC=O
CACTVS 3.385CCCCCCCCCC=O
OpenEye OEToolkits 2.0.6CCCCCCCCCC=O

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SMILES CANONICAL

CACTVS 3.385CCCCCCCCCC=O
OpenEye OEToolkits 2.0.6CCCCCCCCCC=O

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InChI

InChI 1.03InChI=1S/C10H20O/c1-2-3-4-5-6-7-8-9-10-11/h10H,2-9H2,1H3

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InChIKey

InChI 1.03KSMVZQYAVGTKIV-UHFFFAOYSA-N

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SYSTEMATIC NAME

ACDLabs 12.01decanal
OpenEye OEToolkits 2.0.6decanal

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PDB entries

Showing all 1 items

PDB-5u0l:
X-ray crystal structure of fatty aldehyde dehydrogenase enzymes from Marinobacter aquaeolei VT8 complexed with a substrate

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