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- ChemComp-EL6: [(2S)-2-octadecanoyloxypropyl] octadecanoate -

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Basic information

EntryDatabase: PDB chemical components / ID: EL6
NameName: [(2S)-2-octadecanoyloxypropyl] octadecanoate

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Chemical information

Composition
Formula: C39H76O4 / Number of atoms: 119 / Formula weight: 609.018 / Formal charge: 0
Others

6lod

Type: non-polymer / PDB classification: HETAIN / Three letter code: EL6 / Ideal coordinates details: Corina / Model coordinates PDB-ID: 6LOD
History
Create componentJan 10, 2020
Initial releaseNov 4, 2020
External linksUniChem / ChemSpider / PubChem / 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 3.385CCCCCCCCCCCCCCCCCC(=O)OC[CH](C)OC(=O)CCCCCCCCCCCCCCCCC
OpenEye OEToolkits 2.0.7CCCCCCCCCCCCCCCCCC(=O)OCC(C)OC(=O)CCCCCCCCCCCCCCCCC

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SMILES CANONICAL

CACTVS 3.385CCCCCCCCCCCCCCCCCC(=O)OC[C@H](C)OC(=O)CCCCCCCCCCCCCCCCC
OpenEye OEToolkits 2.0.7CCCCCCCCCCCCCCCCCC(=O)OC[C@H](C)OC(=O)CCCCCCCCCCCCCCCCC

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InChI

InChI 1.03InChI=1S/C39H76O4/c1-4-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-38(40)42-36-37(3)43-39(41)35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-5-2/h37H,4-36H2,1-3H3/t37-/m0/s1

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InChIKey

InChI 1.03JEMDXOYRWHZUCG-QNGWXLTQSA-N

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PDB entries

Showing all 3 items

PDB-6lod:
Cryo-EM structure of the air-oxidized photosynthetic alternative complex III from Roseiflexus castenholzii

PDB-6loe:
Cryo-EM structure of the dithionite-reduced photosynthetic alternative complex III from Roseiflexus castenholzii

PDB-8k9e:
Cryo-EM structure of the photosynthetic alternative complex III from Chloroflexus aurantiacus at 3.3 angstrom

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