ChemComp-HSG: octyl alpha-L-altropyranoside

Basic information

• Entry: Database: PDB chemical components / ID: HSG
• Name: Name: octyl alpha-L-altropyranoside; Synonyms: octyl alpha-L-altroside; octyl L-altroside; octyl altroside

Chemical information

Composition

Formula: C₁₄H₂₈O₆ / Number of atoms: 48 / Formula weight: 292.369 / Formal charge: 0

Others

Z6H

Type: L-saccharide / PDB classification: ATOMS / Three letter code: HSG / Ideal coordinates details: Corina / Parent comp.: Z6H

History

Create component	Jan 14, 2009
Modify descriptor	Jun 4, 2011
Other modification	Jul 3, 2020
Modify parent residue	Jul 17, 2020
Modify synonyms	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 / Wikipedia search / Google search

Details

SMILES

• ACDLabs 10.04: O(CCCCCCCC)C1OC(C(O)C(O)C1O)CO
• CACTVS 3.341: CCCCCCCCO[CH]1O[CH](CO)[CH](O)[CH](O)[CH]1O
• OpenEye OEToolkits 1.5.0: CCCCCCCCOC1C(C(C(C(O1)CO)O)O)O

SMILES CANONICAL

• CACTVS 3.341: CCCCCCCCO[C@@H]1O[C@@H](CO)[C@H](O)[C@H](O)[C@H]1O
• OpenEye OEToolkits 1.5.0: CCCCCCCCO[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)CO)O)O)O

InChI

• InChI 1.03: InChI=1S/C14H28O6/c1-2-3-4-5-6-7-8-19-14-13(18)12(17)11(16)10(9-15)20-14/h10-18H,2-9H2,1H3/t10-,11-,12-,13+,14+/m0/s1

InChIKey

• InChI 1.03: HEGSGKPQLMEBJL-QSLWVIQJSA-N

SYSTEMATIC NAME

• ACDLabs 10.04: octyl alpha-L-altropyranoside
• OpenEye OEToolkits 1.5.0: (2S,3R,4S,5R,6R)-2-(hydroxymethyl)-6-octoxy-oxane-3,4,5-triol

PDB entries

Showing all 1 items

PDB-2o9d:
Crystal Structure of AqpZ mutant T183C.