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

Basic information

• Entry: Database: PDB chemical components / ID: SFU
• Name: Name: 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

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 component	Aug 13, 2009
Modify descriptor	Jun 4, 2011
Other modification	Jul 3, 2020
Modify name	Jul 17, 2020
Modify synonyms	Jul 17, 2020
Modify internal type	Jul 17, 2020
Modify linking type	Jul 17, 2020
Modify atom id	Jul 17, 2020
Modify component atom id	Jul 17, 2020
Modify leaving atom flag	Jul 17, 2020

• External links: UniChem / ChemSpider / Nikkaji / PubChem / Wikipedia search / Google search

Details

SMILES

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

SMILES CANONICAL

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

InChI

• InChI 1.03: InChI=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

InChIKey

• InChI 1.03: VHTNTJQSKJZERS-XUVCUMPTSA-N

SYSTEMATIC NAME

• ACDLabs 10.04: methyl 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

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