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- ChemComp-CN0: (2~{S},3~{R},4~{R},5~{S})-3,4,5-tris(oxidanyl)piperidine-2-carbox... -

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Basic information

EntryDatabase: PDB chemical components / ID: CN0
NameName: (2~{S},3~{R},4~{R},5~{S})-3,4,5-tris(oxidanyl)piperidine-2-carboxylic acid

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Chemical information

Composition
Formula: C6H11NO5 / Number of atoms: 23 / Formula weight: 177.155 / Formal charge: 0
Others

6jz3

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: CN0 / Ideal coordinates details: Corina / Model coordinates PDB-ID: 6JZ3
History
Create componentMay 9, 2019
Initial releaseMay 13, 2020
External linksUniChem / ChemSpider / BindingDB / Brenda / CompTox / Nikkaji / PubChem / PubChem_TPharma / 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

CACTVS 3.385O[CH]1CN[CH]([CH](O)[CH]1O)C(O)=O
OpenEye OEToolkits 2.0.7C1C(C(C(C(N1)C(=O)O)O)O)O

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SMILES CANONICAL

CACTVS 3.385O[C@H]1CN[C@@H]([C@@H](O)[C@@H]1O)C(O)=O
OpenEye OEToolkits 2.0.7C1[C@@H]([C@H]([C@@H]([C@H](N1)C(=O)O)O)O)O

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InChI

InChI 1.03InChI=1S/C6H11NO5/c8-2-1-7-3(6(11)12)5(10)4(2)9/h2-5,7-10H,1H2,(H,11,12)/t2-,3-,4+,5+/m0/s1

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InChIKey

InChI 1.03ZHFMVVUVCALAMY-QMKXCQHVSA-N

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PDB entries

Showing all 1 items

PDB-6jz3:
b-glucuronidase from Ruminococcus gnavus in complex with uronic deoxynojirimycin

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