ChemComp-8S0: L-glucono-1,5-lactone

Basic information

• Entry: Database: PDB chemical components / ID: 8S0
• Name: Name: L-glucono-1,5-lactone; Synonyms: (3~{S},4~{R},5~{R},6~{S})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-one

Chemical information

Composition

Formula: C₆H₁₀O₆ / Number of atoms: 22 / Formula weight: 178.14 / Formal charge: 0

Others

5yap

Type: L-saccharide / PDB classification: ATOMS / Three letter code: 8S0 / Ideal coordinates details: Corina / Model coordinates PDB-ID: 5YAP

History

Create component	Sep 7, 2017
Initial release	May 23, 2018
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 / Brenda / ChEMBL / ChemicalBook / Nikkaji / PubChem / SureChEMBL / ZINC / Wikipedia search / Google search

Details

SMILES

• CACTVS 3.385: OC[CH]1OC(=O)[CH](O)[CH](O)[CH]1O
• OpenEye OEToolkits 2.0.6: C(C1C(C(C(C(=O)O1)O)O)O)O

SMILES CANONICAL

• CACTVS 3.385: OC[C@@H]1OC(=O)[C@@H](O)[C@H](O)[C@H]1O
• OpenEye OEToolkits 2.0.6: C([C@H]1[C@@H]([C@H]([C@@H](C(=O)O1)O)O)O)O

InChI

• InChI 1.03: InChI=1S/C6H10O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-5,7-10H,1H2/t2-,3-,4+,5-/m0/s1

InChIKey

• InChI 1.03: PHOQVHQSTUBQQK-KLVWXMOXSA-N

PDB entries

Showing all 2 items

PDB-5yap:
Crystal structure of scyllo-inositol dehydrogenase with L-glucose dehydrogenase activity complexed with L-glucono-1,5-lactone

PDB-6ktk:
Crystal structure of scyllo-inositol dehydrogenase R178A mutant, complexed with NADH and L-glucono-1,5-lactone, from Paracoccus laeviglucosivorans