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- ChemComp-EDG: 1,4-DIDEOXY-1,4-IMINO-L-ARABINITOL -

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Basic information

EntryDatabase: PDB chemical components / ID: EDG
NameName: 1,4-dideoxy-1,4-imino-L-arabinitol

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Chemical information

Composition
Formula: C5H11NO3 / Number of atoms: 20 / Formula weight: 133.146 / Formal charge: 0
Others

2ydp

Type: non-polymer / PDB classification: HETAIN / Three letter code: EDG / Ideal coordinates details: Corina / Model coordinates PDB-ID: 2YDP
History
Create componentMar 24, 2011
Create componentApr 19, 2011
Modify descriptorJun 4, 2011
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

CACTVS 3.352OC[CH]1NC[CH](O)[CH]1O
OpenEye OEToolkits 1.6.1C1C(C(C(N1)CO)O)O

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SMILES CANONICAL

CACTVS 3.352OC[C@@H]1NC[C@H](O)[C@H]1O
OpenEye OEToolkits 1.6.1C1[C@@H]([C@H]([C@@H](N1)CO)O)O

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InChI

InChI 1.03InChI=1S/C5H11NO3/c7-2-3-5(9)4(8)1-6-3/h3-9H,1-2H2/t3-,4-,5-/m0/s1

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InChIKey

InChI 1.03OQEBIHBLFRADNM-YUPRTTJUSA-N

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SYSTEMATIC NAME

OpenEye OEToolkits 1.6.1(2S,3S,4S)-2-(hydroxymethyl)pyrrolidine-3,4-diol

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PDB entries

Showing all 5 items

PDB-2ydp:
Structure of the E242A mutant of the alpha-l-arabinofuranosidase arb93a from fusarium graminearum in complex with an iminosugar inhibitor

PDB-2ydt:
STRUCTURE OF THE ALPHA-L-ARABINOFURANOSIDASE ARB93A from FUSARIUM Graminearum in complexe with an iminosugar inhibitor

PDB-5jox:
Bacteroides ovatus Xyloglucan PUL GH43A in complex with AraDNJ

PDB-6f1j:
Structure of a Talaromyces pinophilus GH62 Arabinofuranosidase in complex with AraDNJ at 1.25A resolution

PDB-6zq1:
Structure of AraDNJ-Bound MgGH51 a-L-Arabinofuranosidase Crystal Type 1

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