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- ChemComp-XGP: 1-O-phosphono-beta-D-glucopyranose -

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Basic information

EntryDatabase: PDB chemical components / ID: XGP
NameName: 1-O-phosphono-beta-D-glucopyranose
Synonyms: 1-O-phosphono-beta-D-glucose; 1-O-phosphono-D-glucose; 1-O-phosphono-glucose

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Chemical information

Composition
Formula: C6H13O9P / Number of atoms: 29 / Formula weight: 260.136 / Formal charge: 0
Others

3k4z

BGC

Type: D-saccharide / PDB classification: ATOMS / Three letter code: XGP / Ideal coordinates details: Corina / Model coordinates PDB-ID: 3K4Z / Parent comp.: BGC
History
Create componentOct 7, 2009
Modify descriptorJun 4, 2011
Other modificationJul 3, 2020
Modify parent residueJul 17, 2020
Modify synonymsJul 17, 2020
Modify internal typeJul 17, 2020
Modify linking typeJul 17, 2020
Modify atom idJul 17, 2020
Modify component atom idJul 17, 2020
Modify leaving atom flagJul 17, 2020
External linksUniChem / ChemSpider / Brenda / ChEBI / ChEMBL / KEGG_Ligand / Metabolights / NMRShiftDB / Nikkaji / PubChem / PubChem_TPharma / SureChEMBL / ZINC / 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 11.02O=P(O)(OC1OC(C(O)C(O)C1O)CO)O
CACTVS 3.352OC[CH]1O[CH](O[P](O)(O)=O)[CH](O)[CH](O)[CH]1O
OpenEye OEToolkits 1.7.0C(C1C(C(C(C(O1)OP(=O)(O)O)O)O)O)O

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SMILES CANONICAL

CACTVS 3.352OC[C@H]1O[C@@H](O[P](O)(O)=O)[C@H](O)[C@@H](O)[C@@H]1O
OpenEye OEToolkits 1.7.0C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)OP(=O)(O)O)O)O)O)O

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InChI

InChI 1.03InChI=1S/C6H13O9P/c7-1-2-3(8)4(9)5(10)6(14-2)15-16(11,12)13/h2-10H,1H2,(H2,11,12,13)/t2-,3-,4+,5-,6+/m1/s1

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InChIKey

InChI 1.03HXXFSFRBOHSIMQ-DVKNGEFBSA-N

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SYSTEMATIC NAME

ACDLabs 11.021-O-phosphono-beta-D-glucopyranose
OpenEye OEToolkits 1.6.1[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] dihydrogen phosphate

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IUPAC CARBOHYDRATE SYMBOL

PDB-CARE 1.0b-D-Glcp1PO3

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PDB entries

Showing all 5 items

PDB-1nt4:
Crystal structure of Escherichia coli periplasmic glucose-1-phosphatase H18A mutant complexed with glucose-1-phosphate

PDB-3k4z:
Crystal Structure of the Cellulosomal CBM4 from Clostridium thermocellum Cellulase CbhA

PDB-5o6r:
Structure of beta-phosphoglucomutase D10N mutant in complex with glucose-1-phosphate and aluminium tetrafluoride

PDB-6hdg:
D170N variant of beta-phosphoglucomutase from Lactococcus lactis complexed with beta-G1P in a closed conformer to 1.2 A.

PDB-9lb7:
Crystal structure of trehalose-6-phosphate phosphorylase from Weissella ceti in complex with beta-Glc1P

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