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- ChemComp-XBP: XYLULOSE-1,5-BISPHOSPHATE -

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Basic information

EntryDatabase: PDB chemical components / ID: XBP
NameName: xylulose-1,5-bisphosphate

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Chemical information

Composition
Formula: C5H12O11P2 / Number of atoms: 30 / Formula weight: 310.09 / Formal charge: 0
Others

1rsc

Type: SACCHARIDE / PDB classification: ATOMS / Three letter code: XBP / Model coordinates PDB-ID: 1RSC
History
Create componentJul 8, 1999
Modify descriptorJun 4, 2011
External linksUniChem / ChemSpider / Wikipedia search / Google search

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Structure visualization

Structure viewerMolecule:
MolmilJmol/JSmol

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Details

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SMILES

ACDLabs 10.04O=P(O)(O)OCC(=O)C(O)C(O)COP(=O)(O)O
CACTVS 3.341O[CH](CO[P](O)(O)=O)[CH](O)C(=O)CO[P](O)(O)=O
OpenEye OEToolkits 1.5.0C(C(C(C(=O)COP(=O)(O)O)O)O)OP(=O)(O)O

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SMILES CANONICAL

CACTVS 3.341O[C@H](CO[P](O)(O)=O)[C@H](O)C(=O)CO[P](O)(O)=O
OpenEye OEToolkits 1.5.0C([C@H]([C@@H](C(=O)COP(=O)(O)O)O)O)OP(=O)(O)O

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InChI

InChI 1.03InChI=1S/C5H12O11P2/c6-3(1-15-17(9,10)11)5(8)4(7)2-16-18(12,13)14/h3,5-6,8H,1-2H2,(H2,9,10,11)(H2,12,13,14)/t3-,5+/m1/s1

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InChIKey

InChI 1.03YAHZABJORDUQGO-WUJLRWPWSA-N

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SYSTEMATIC NAME

ACDLabs 10.041,5-di-O-phosphono-D-xylulose
OpenEye OEToolkits 1.5.0[(3S,4R)-3,4-dihydroxy-2-oxo-5-phosphonooxy-pentyl] dihydrogen phosphate

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PDB entries

Showing all 3 items

PDB-1rsc:
STRUCTURE OF AN EFFECTOR INDUCED INACTIVATED STATE OF RIBULOSE BISPHOSPHATE CARBOXYLASE(SLASH)OXYGENASE: THE BINARY COMPLEX BETWEEN ENZYME AND XYLULOSE BISPHOSPHATE

PDB-4uat:
Crystal structure of CbbY (mutant D10N) from Rhodobacter sphaeroides in complex with Xylulose-(1,5)bisphosphate, crystal form I

PDB-4uau:
Crystal structure of CbbY (mutant D10N) from Rhodobacter sphaeroides in complex with Xylulose-(1,5)bisphosphate, crystal form II

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