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- ChemComp-3ZS: (1R,5S)-6-oxabicyclo[3.1.0]hexane -

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Basic information

EntryDatabase: PDB chemical components / ID: 3ZS
NameName: (1R,5S)-6-oxabicyclo[3.1.0]hexane

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Chemical information

Composition
Formula: C5H8O / Number of atoms: 14 / Formula weight: 84.116 / Formal charge: 0
Others

4xby

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: 3ZS / Ideal coordinates details: Corina / Model coordinates PDB-ID: 4XBY
History
Create componentDec 19, 2014
Initial releaseJul 15, 2015
External linksUniChem / ChemSpider / Nikkaji / PubChem / PubChem_TPharma / SureChEMBL / 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 12.01O1C2CCCC12
CACTVS 3.385C1C[CH]2O[CH]2C1
OpenEye OEToolkits 1.9.2C1CC2C(C1)O2

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SMILES CANONICAL

CACTVS 3.385C1C[C@@H]2O[C@@H]2C1
OpenEye OEToolkits 1.9.2C1C[C@@H]2[C@H](C1)O2

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InChI

InChI 1.03InChI=1S/C5H8O/c1-2-4-5(3-1)6-4/h4-5H,1-3H2/t4-,5+

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InChIKey

InChI 1.03GJEZBVHHZQAEDB-SYDPRGILSA-N

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SYSTEMATIC NAME

ACDLabs 12.01(1R,5S)-6-oxabicyclo[3.1.0]hexane
OpenEye OEToolkits 1.9.2(1R,5S)-6-oxabicyclo[3.1.0]hexane

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PDB entries

Showing all 5 items

PDB-4xby:
Crystal Structure of the L74F/M78V/I80V/L114F mutant of LEH complexed with cyclopentene oxide

PDB-5ck6:
Crystal structure of SZ348 in complex with cyclopentene oxide

PDB-5yao:
The complex structure of SZ529 and expoxid

PDB-5yng:
Crystal structure of SZ348 in complex with cyclopentene oxide

PDB-5yqt:
Crystal Structure of the L74F/M78V/I80V/L114F mutant of LEH complexed with cyclopentene oxide

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