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- ChemComp-VPL: (2~{R},4~{R},5~{R},6~{R})-6-(hydroxymethyl)-4,5-bis(oxidanyl)oxan... -

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Basic information

EntryDatabase: PDB chemical components / ID: VPL
NameName: (2~{R},4~{R},5~{R},6~{R})-6-(hydroxymethyl)-4,5-bis(oxidanyl)oxane-2-carboxamide

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Chemical information

Composition
Formula: C7H13NO5 / Number of atoms: 26 / Formula weight: 191.182 / Formal charge: 0
Others

8ojk

Type: non-polymer / PDB classification: HETAIN / Three letter code: VPL / Ideal coordinates details: Corina / Model coordinates PDB-ID: 8OJK
History
Create componentMar 24, 2023
Initial releaseSep 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 3.385NC(=O)[CH]1C[CH](O)[CH](O)[CH](CO)O1
OpenEye OEToolkits 2.0.7C1C(C(C(OC1C(=O)N)CO)O)O

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SMILES CANONICAL

CACTVS 3.385NC(=O)[C@H]1C[C@@H](O)[C@@H](O)[C@@H](CO)O1
OpenEye OEToolkits 2.0.7C1[C@H]([C@H]([C@H](O[C@H]1C(=O)N)CO)O)O

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InChI

InChI 1.06InChI=1S/C7H13NO5/c8-7(12)4-1-3(10)6(11)5(2-9)13-4/h3-6,9-11H,1-2H2,(H2,8,12)/t3-,4-,5-,6-/m1/s1

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InChIKey

InChI 1.06XSQZVCXBAGPICS-KVTDHHQDSA-N

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PDB entries

Showing all 1 items

PDB-8ojk:
Galectin-3 in complex with 2,6-anhydro-3-deoxy-3-S-(beta-D-galactopyranosyl)-3-thio-D-glycero-L-altro-heptonamide

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