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- ChemComp-SFU: methyl 1-seleno-alpha-L-fucopyranoside -

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Basic information

EntryDatabase: PDB chemical components / ID: SFU
NameName: methyl 1-seleno-alpha-L-fucopyranoside
Synonyms: METHYL 6-DEOXY-1-SELENO-ALPHA-L-GALACTOPYRANOSIDE; methyl 1-seleno-alpha-L-fucoside; methyl 1-seleno-L-fucoside;

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Chemical information

Composition
Formula: C7H14O4Se / Number of atoms: 26 / Formula weight: 241.144 / Formal charge: 0
Others

2wq4

Type: L-saccharide / PDB classification: ATOMS / Three letter code: SFU / Ideal coordinates details: Corina / Model coordinates PDB-ID: 2WQ4
History
Create componentAug 13, 2009
Modify descriptorJun 4, 2011
Other modificationJul 3, 2020
Modify nameJul 17, 2020
Modify synonymsJul 17, 2020
Modify internal typeJul 17, 2020
Modify linking typeJul 17, 2020
Modify atom idJul 17, 2020
Modify component atom idJul 17, 2020
Modify leaving atom flagJul 17, 2020
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

ACDLabs 10.04OC1C(O)C(O)C(OC1[Se]C)C
CACTVS 3.352C[Se][CH]1O[CH](C)[CH](O)[CH](O)[CH]1O
OpenEye OEToolkits 1.6.1CC1C(C(C(C(O1)[Se]C)O)O)O

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SMILES CANONICAL

CACTVS 3.352C[Se][C@@H]1O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]1O
OpenEye OEToolkits 1.6.1C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)[Se]C)O)O)O

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InChI

InChI 1.03InChI=1S/C7H14O4Se/c1-3-4(8)5(9)6(10)7(11-3)12-2/h3-10H,1-2H3/t3-,4+,5+,6-,7-/m0/s1

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InChIKey

InChI 1.03VHTNTJQSKJZERS-XUVCUMPTSA-N

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SYSTEMATIC NAME

ACDLabs 10.04methyl 6-deoxy-1-seleno-alpha-L-galactopyranoside
OpenEye OEToolkits 1.6.1(2S,3S,4R,5S,6S)-2-methyl-6-methylselanyl-oxane-3,4,5-triol

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PDB entries

Showing all 4 items

PDB-2wq4:
N-terminal domain of BC2L-C Lectin from Burkholderia cenocepacia

PDB-4agi:
Crystal Structure of Fucose binding lectin from Aspergillus Fumigatus (AFL) in complex with seleno fucoside.

PDB-5eo7:
Crystal structure of AOL

PDB-6yf6:
EclA C-terminal domain; sugar-binding protein

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