+Open data
-Basic information
Entry | Database: PDB chemical components / ID: 40S |
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Name | Name: |
-Chemical information
Composition | Formula: C6H14O2 / Number of atoms: 22 / Formula weight: 118.174 / Formal charge: 0 | ||||
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Others | Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: 40S / Ideal coordinates details: Corina / Model coordinates PDB-ID: 3X2G | ||||
History |
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External links | UniChem / Brenda / ChemicalBook / CompTox / Nikkaji / PubChem / PubChem_TPharma / SureChEMBL / 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 1.7.6 | |
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-SMILES CANONICAL
CACTVS 3.385 | OpenEye OEToolkits 1.7.6 | |
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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 1.7.6 | |
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-PDB entries
Showing all 6 items
PDB-3x2g:
X-ray structure of PcCel45A N92D apo form at 100K
PDB-3x2h:
X-ray structure of PcCel45A N92D with cellopentaose at 95K.
PDB-3x2i:
X-ray structure of PcCel45A N92D apo form at 298K.
PDB-3x2j:
X-ray structure of PcCel45A D114N apo form at 95K.
PDB-3x2k:
X-ray structure of PcCel45A D114N with cellopentaose at 95K.
PDB-3x2l:
X-ray structure of PcCel45A apo form at 95K.