ChemComp-RAH: [(2~{S},3~{S},4~{S},5~{R})-3,4,5-tris(oxidanyl)-5-(phosphonooxyme...

Basic information

• Entry: Database: PDB chemical components / ID: RAH
• Name: Name: [(2~{S},3~{S},4~{S},5~{R})-3,4,5-tris(oxidanyl)-5-(phosphonooxymethyl)oxolan-2-yl]methanesulfonic acid; Synonyms: 6-deoxy-6-sulfo-D-fructose 1-phosphate

Chemical information

Composition

Formula: C₆H₁₃O₁₁PS / Number of atoms: 32 / Formula weight: 324.2 / Formal charge: 0

Others

7agk

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

History

Create component	Sep 22, 2020
Initial release	Apr 14, 2021

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Details

SMILES

• CACTVS 3.385: O[CH]1[CH](O)[C](O)(CO[P](O)(O)=O)O[CH]1C[S](O)(=O)=O
• OpenEye OEToolkits 2.0.7: C(C1C(C(C(O1)(COP(=O)(O)O)O)O)O)S(=O)(=O)O

SMILES CANONICAL

• CACTVS 3.385: O[C@H]1[C@H](O)[C@@](O)(CO[P](O)(O)=O)O[C@@H]1C[S](O)(=O)=O
• OpenEye OEToolkits 2.0.7: C([C@@H]1[C@H]([C@@H]([C@](O1)(COP(=O)(O)O)O)O)O)S(=O)(=O)O

InChI

• InChI 1.03: InChI=1S/C6H13O11PS/c7-4-3(1-19(13,14)15)17-6(9,5(4)8)2-16-18(10,11)12/h3-5,7-9H,1-2H2,(H2,10,11,12)(H,13,14,15)/t3-,4-,5+,6-/m1/s1

InChIKey

• InChI 1.03: IZVMCURFIBVEOJ-ARQDHWQXSA-N

PDB entries

Showing all 1 items

PDB-7agk:
Crystal structure of E. coli SF kinase (YihV) in complex with product sulfofructose phosphate (SFP)