ChemComp-I9X: alpha-D-ribose-1,2-cyclic-phosphate-5-phosphate

Basic information

• Entry: Database: PDB chemical components / ID: I9X
• Name: Name: alpha-D-ribose-1,2-cyclic-phosphate-5-phosphate; Synonyms: [(3aR,5R,6R,6aR)-2,6-bis(oxidanyl)-2-oxidanylidene-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3,2]dioxaphosphol-5-yl]methyl dihydrogen phosphate; 5-phospho-alpha-D-ribose cyclic-1,2-phosphate

Chemical information

Composition

Formula: C₅H₁₀O₁₀P₂ / Number of atoms: 27 / Formula weight: 292.074 / Formal charge: 0

Others

7z18

Type: non-polymer / PDB classification: HETAIN / Three letter code: I9X / Ideal coordinates details: Corina / Model coordinates PDB-ID: 7Z18

History

Create component	Mar 3, 2022
Initial release	May 25, 2022
Modify coordinates	May 30, 2022
Modify name	Jun 16, 2022
Modify descriptor	Aug 22, 2022

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

Details

SMILES

• CACTVS 3.385: O[CH]1[CH](CO[P](O)(O)=O)O[CH]2O[P](O)(=O)O[CH]12
• OpenEye OEToolkits 2.0.7: C(C1C(C2C(O1)OP(=O)(O2)O)O)OP(=O)(O)O

SMILES CANONICAL

• CACTVS 3.385: O[C@@H]1[C@@H](CO[P](O)(O)=O)O[C@@H]2O[P](O)(=O)O[C@H]12
• OpenEye OEToolkits 2.0.7: C([C@@H]1[C@H]([C@@H]2[C@H](O1)OP(=O)(O2)O)O)OP(=O)(O)O

InChI

• InChI 1.06: InChI=1S/C5H10O10P2/c6-3-2(1-12-16(7,8)9)13-5-4(3)14-17(10,11)15-5/h2-6H,1H2,(H,10,11)(H2,7,8,9)/t2-,3-,4-,5-/m1/s1

InChIKey

• InChI 1.06: OXGUIUWFXGIWNM-TXICZTDVSA-N

PDB entries

Showing all 3 items

PDB-7z15:
E. coli C-P lyase bound to a PhnK/PhnL dual ABC dimer and ADP + Pi

PDB-7z17:
E. coli C-P lyase bound to a PhnK ABC dimer in an open conformation

PDB-7z18:
E. coli C-P lyase bound to a PhnK ABC dimer and ATP