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- ChemComp-OCD: octadecanal -

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Basic information

EntryDatabase: PDB chemical components / ID: OCD
NameName: octadecanal

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Chemical information

Composition
Formula: C18H36O / Number of atoms: 55 / Formula weight: 268.478 / Formal charge: 0
Others

5k52

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: OCD / Ideal coordinates details: Corina / Model coordinates PDB-ID: 5K52
History
Create componentJul 29, 2016
Initial releaseMar 15, 2017
External linksUniChem / ChemSpider / 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 12.01C(CCCCCCCCCCCCCCCCC)=O
CACTVS 3.385CCCCCCCCCCCCCCCCCC=O
OpenEye OEToolkits 2.0.5CCCCCCCCCCCCCCCCCC=O

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SMILES CANONICAL

CACTVS 3.385CCCCCCCCCCCCCCCCCC=O
OpenEye OEToolkits 2.0.5CCCCCCCCCCCCCCCCCC=O

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InChI

InChI 1.03InChI=1S/C18H36O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19/h18H,2-17H2,1H3

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InChIKey

InChI 1.03FWWQKRXKHIRPJY-UHFFFAOYSA-N

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SYSTEMATIC NAME

ACDLabs 12.01octadecanal
OpenEye OEToolkits 2.0.5octadecanal

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PDB entries

Showing all 5 items

PDB-5k52:
Crystal structures of aldehyde deformylating oxygenase from Limnothrix sp. KNUA012

PDB-6jzu:
The crystal structure of acyl-acyl carrier protein (acyl-ACP) reductase (AAR) in complex with aldehyde deformylating oxygenase (ADO)

PDB-6jzy:
Crystal structure of AAR with NADPH and stearyl in complex with ADO binding a long chain carbohydrate

PDB-6sl5:
Dunaliella Photosystem I Supercomplex

PDB-9mh0:
Dunaliella salina PSI-LHCI supercomplex

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