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- ChemComp-VP5: (3~{S},4~{R})-4,5,5-tris(oxidanyl)piperidine-3-carboxylic acid -

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Open data


ID or keywords:

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Basic information

EntryDatabase: PDB chemical components / ID: VP5
NameName: (3~{S},4~{R})-4,5,5-tris(oxidanyl)piperidine-3-carboxylic acid

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Chemical information

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

8ohv

Type: non-polymer / PDB classification: HETAIN / Three letter code: VP5 / Ideal coordinates details: Corina / Model coordinates PDB-ID: 8OHV
History
Create componentMar 23, 2023
Initial releaseJan 10, 2024
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 3.385O[CH]1[CH](CNCC1(O)O)C(O)=O
OpenEye OEToolkits 2.0.7C1C(C(C(CN1)(O)O)O)C(=O)O

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SMILES CANONICAL

CACTVS 3.385O[C@@H]1[C@H](CNCC1(O)O)C(O)=O
OpenEye OEToolkits 2.0.7C1[C@@H]([C@H](C(CN1)(O)O)O)C(=O)O

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InChI

InChI 1.06InChI=1S/C6H11NO5/c8-4-3(5(9)10)1-7-2-6(4,11)12/h3-4,7-8,11-12H,1-2H2,(H,9,10)/t3-,4+/m0/s1

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InChIKey

InChI 1.06VJJFPBNJYGLWRR-IUYQGCFVSA-N

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PDB entries

Showing all 2 items

PDB-8ohr:
Crystal structure of human heparanase in complex with glucuronic acid configured 3-geminal diol iminosugar inhibitor

PDB-8ohv:
Crystal structure of Beta-glucuronidase from Acidobacterium capsulatum in complex with glucuronic acid configured 3-geminal diol iminosugar inhibitor

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