ChemComp-TF8: (2R,3S,4S,5S)-2,3,4,5-tetrahydroxyhexanoic acid

Basic information

• Entry: Database: PDB chemical components / ID: TF8
• Name: Name: (2R,3S,4S,5S)-2,3,4,5-tetrahydroxyhexanoic acid; Synonyms: (2~{R},3~{S},4~{S},5~{S})-2,3,4,5-tetrakis(oxidanyl)hexanoic acid

Chemical information

Composition

Formula: C₆H₁₂O₆ / Number of atoms: 24 / Formula weight: 180.156 / Formal charge: 0

Others

7bco

Type: non-polymer / PDB classification: HETAIN / Three letter code: TF8 / Ideal coordinates details: Corina / Model coordinates PDB-ID: 7BCO

History

Create component	Dec 22, 2020
Initial release	Apr 7, 2021

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

Details

SMILES

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

SMILES CANONICAL

• CACTVS 3.385: C[C@H](O)[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@H](C(=O)O)O)O)O)O

InChI

• InChI 1.03: InChI=1S/C6H12O6/c1-2(7)3(8)4(9)5(10)6(11)12/h2-5,7-10H,1H3,(H,11,12)/t2-,3-,4-,5+/m0/s1

InChIKey

• InChI 1.03: NBFWIISVIFCMDK-NEEWWZBLSA-N

PDB entries

Showing all 1 items

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