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- ChemComp-VPQ: (2~{R},3~{S},4~{S},5~{S},6~{R})-6-(hydroxymethyl)-3,4,5-tris(oxid... -

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Basic information

EntryDatabase: PDB chemical components / ID: VPQ
NameName: (2~{R},3~{S},4~{S},5~{S},6~{R})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxane-2-carboxamide

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Chemical information

Composition
Formula: C7H13NO6 / Number of atoms: 27 / Formula weight: 207.181 / Formal charge: 0
Others

8ojm

Type: non-polymer / PDB classification: HETAIN / Three letter code: VPQ / Ideal coordinates details: Corina / Model coordinates PDB-ID: 8OJM
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]1O[CH](CO)[CH](O)[CH](O)[CH]1O
OpenEye OEToolkits 2.0.7C(C1C(C(C(C(O1)C(=O)N)O)O)O)O

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SMILES CANONICAL

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

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InChI

InChI 1.06InChI=1S/C7H13NO6/c8-7(13)6-5(12)4(11)3(10)2(1-9)14-6/h2-6,9-12H,1H2,(H2,8,13)/t2-,3-,4+,5+,6-/m1/s1

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InChIKey

InChI 1.06UKWLGCFJAVEFPE-RWOPYEJCSA-N

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PDB entries

Showing all 1 items

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

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