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- ChemComp-F1P: 1-O-phosphono-beta-D-fructopyranose -

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Basic information

EntryDatabase: PDB chemical components / ID: F1P
NameName: 1-O-phosphono-beta-D-fructopyranose
Synonyms: BETA-D-FRUCTOPYRANOSE-1-PHOSPHATE; ((2R,3S,4R,5R)-TETRAHYDRO-2,3,4,5-TETRAHYDROXY-2H-PYRAN-2-YL)METHYL DIHYDROGEN

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Chemical information

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

2df8

BDF

Type: D-saccharide / PDB classification: ATOMS / Three letter code: F1P / Model coordinates PDB-ID: 2DF8 / Parent comp.: BDF
History
Create componentFeb 28, 2006
Modify descriptorJun 4, 2011
Modify synonymsMay 27, 2020
Other modificationJul 3, 2020
Modify parent residueJul 17, 2020
Modify nameJul 17, 2020
Modify synonymsJul 17, 2020
Modify linking typeJul 17, 2020
Modify leaving atom flagJul 17, 2020
External linksUniChem / ChemSpider / ChEBI / Metabolights / Nikkaji / PubChem / SureChEMBL / 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)OCC1(O)OCC(O)C(O)C1O
CACTVS 3.341O[CH]1CO[C](O)(CO[P](O)(O)=O)[CH](O)[CH]1O
OpenEye OEToolkits 1.5.0C1C(C(C(C(O1)(COP(=O)(O)O)O)O)O)O

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SMILES CANONICAL

CACTVS 3.341O[C@@H]1CO[C@](O)(CO[P](O)(O)=O)[C@@H](O)[C@@H]1O
OpenEye OEToolkits 1.5.0C1[C@H]([C@H]([C@@H]([C@](O1)(COP(=O)(O)O)O)O)O)O

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InChI

InChI 1.03InChI=1S/C6H13O9P/c7-3-1-14-6(10,5(9)4(3)8)2-15-16(11,12)13/h3-5,7-10H,1-2H2,(H2,11,12,13)/t3-,4-,5+,6-/m1/s1

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InChIKey

InChI 1.03HXRNACQBNUPKDX-ARQDHWQXSA-N

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SYSTEMATIC NAME

ACDLabs 10.041-O-phosphono-beta-D-fructopyranose
OpenEye OEToolkits 1.5.0[(2R,3S,4R,5R)-2,3,4,5-tetrahydroxyoxan-2-yl]methyl dihydrogen phosphate

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IUPAC CARBOHYDRATE SYMBOL

PDB-CARE 1.0b-D-Frup1PO3

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PDB entries

Showing all 2 items

PDB-2df8:
Crystal Structure of the PH0510 protein from Pyrococcus horikoshii OT3 in complex with beta-D-Fructopyranose-1-phosphate

PDB-4bb9:
Crystal structure of glucokinase regulatory protein complexed to fructose-1-phosphate

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