+Open data
-Basic information
Entry | Database: PDB chemical components / ID: PEE | ||||
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Name | Name: Wikipedia | Wikipedia - Discrete optimized protein energy: DOPE, or Discrete Optimized Protein Energy, is a statistical potential used to assess homology models in protein structure prediction. DOPE is based on an improved reference state that corresponds to noninteracting atoms in a homogeneous sphere with the radius dependent on a sample native structure; it thus accounts for the finite and spherical shape of the native structures... | Comment | DOPE, phospholipid*YM | |
-Chemical information
Composition | Formula: C41H78NO8P / Number of atoms: 129 / Formula weight: 744.034 / Formal charge: 0 | ||||||||||
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Others | Type: non-polymer / PDB classification: HETAIN / Ideal coordinates details: Corina / Model coordinates PDB-ID: 6A9J / Parent comp.: PEE | ||||||||||
History |
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External links | UniChem / Brenda / ChEBI / HMDB / LipidMaps / Metabolights / PubChem / PubChem_TPharma / Rhea / SureChEMBL / SwissLipids / ZINC / ChemSpider / Wikipedia search / Google search |
-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Details
-SMILES
ACDLabs 12.01 | CACTVS 3.385 | OpenEye OEToolkits 2.0.7 | |
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-SMILES CANONICAL
CACTVS 3.385 | OpenEye OEToolkits 2.0.7 | |
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-InChI
InChI 1.03 |
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-InChIKey
InChI 1.03 |
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-SYSTEMATIC NAME
ACDLabs 12.01 | (OpenEye OEToolkits 2.0.7 | [( | |
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