ChemComp-TK8: D-xylonic acid

Basic information

• Entry: Database: PDB chemical components / ID: TK8
• Name: Name: D-xylonic acid; Synonyms: (2~{R},3~{S},4~{R})-2,3,4,5-tetrakis(oxidanyl)pentanoic acid; (2R,3S,4R)-2,3,4,5-tetrahydroxypentanoic acid; xylonic acid

Chemical information

Composition

Formula: C₅H₁₀O₆ / Number of atoms: 21 / Formula weight: 166.129 / Formal charge: 0

Others

7bcn

Type: non-polymer / PDB classification: HETAIN / Three letter code: TK8 / Ideal coordinates details: Corina / Model coordinates PDB-ID: 7BCN

History

Create component	Dec 23, 2020
Initial release	Apr 14, 2021

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

Details

SMILES

• CACTVS 3.385: OC[CH](O)[CH](O)[CH](O)C(O)=O
• OpenEye OEToolkits 2.0.7: C(C(C(C(C(=O)O)O)O)O)O

SMILES CANONICAL

• CACTVS 3.385: OC[C@@H](O)[C@H](O)[C@@H](O)C(O)=O
• OpenEye OEToolkits 2.0.7: C([C@H]([C@@H]([C@H](C(=O)O)O)O)O)O

InChI

• InChI 1.03: InChI=1S/C5H10O6/c6-1-2(7)3(8)4(9)5(10)11/h2-4,6-9H,1H2,(H,10,11)/t2-,3+,4-/m1/s1

InChIKey

• InChI 1.03: QXKAIJAYHKCRRA-FLRLBIABSA-N

PDB entries

Showing all 1 items

PDB-7bcn:
Crystal structure of the sugar acid binding protein DctPAm from Advenella mimigardefordensis strain DPN7T in complex with Xylonic acid