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- ChemComp-UI5: (1~{S},2~{S},3~{S},4~{R})-4-azanyl-3-(hydroxymethyl)cyclopentane-... -

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Basic information

EntryDatabase: PDB chemical components / ID: UI5
NameName: (1~{S},2~{S},3~{S},4~{R})-4-azanyl-3-(hydroxymethyl)cyclopentane-1,2-diol

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Chemical information

Composition
Formula: C6H13NO3 / Number of atoms: 23 / Formula weight: 147.172 / Formal charge: 0
Others

8qf8

Type: non-polymer / PDB classification: HETAIN / Three letter code: UI5 / Ideal coordinates details: Corina / Model coordinates PDB-ID: 8QF8
History
Create componentSep 5, 2023
Initial releaseDec 13, 2023
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 3.385N[CH]1C[CH](O)[CH](O)[CH]1CO
OpenEye OEToolkits 2.0.7C1C(C(C(C1O)O)CO)N

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SMILES CANONICAL

CACTVS 3.385N[C@@H]1C[C@H](O)[C@@H](O)[C@@H]1CO
OpenEye OEToolkits 2.0.7C1[C@H]([C@H]([C@@H]([C@H]1O)O)CO)N

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InChI

InChI 1.06InChI=1S/C6H13NO3/c7-4-1-5(9)6(10)3(4)2-8/h3-6,8-10H,1-2,7H2/t3-,4-,5+,6+/m1/s1

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InChIKey

InChI 1.06XJKPQBOZNVQXOP-ZXXMMSQZSA-N

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PDB entries

Showing all 2 items

PDB-8qf2:
Beta-L-Arabinofurano-cyclitol Aziridines are Cysteine-directed Broad-spectrum Inhibitors and Activity-based Probes for Retaining Beta-L-arabinofuranosidases

PDB-8qf8:
GH146 beta-L-arabinofuranosidase from Bacteroides thetaioatomicron in complex with beta-l-arabinofurano cyclophellitol aziridine

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