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- ChemComp-F1X: 1-O-phosphono-beta-D-fructofuranose -

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Basic information

EntryDatabase: PDB chemical components / ID: F1X
NameName: 1-O-phosphono-beta-D-fructofuranose
Synonyms: beta D-Fructose 1-phosphate; 1-O-phosphono-beta-D-fructose; 1-O-phosphono-D-fructose; 1-O-phosphono-fructose

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Chemical information

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

3o75

FRU

Type: D-saccharide, beta linking / PDB classification: ATOMS / Three letter code: F1X / Ideal coordinates details: Corina / Model coordinates PDB-ID: 3O75 / Parent comp.: FRU
History
Create componentAug 4, 2010
Modify descriptorJun 4, 2011
Other modificationJul 3, 2020
Modify parent residueJul 17, 2020
Modify synonymsJul 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 / HMDB / PubChem / 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 12.01O=P(OCC1(O)OC(C(O)C1O)CO)(O)O
CACTVS 3.370OC[CH]1O[C](O)(CO[P](O)(O)=O)[CH](O)[CH]1O
OpenEye OEToolkits 1.7.0C(C1C(C(C(O1)(COP(=O)(O)O)O)O)O)O

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SMILES CANONICAL

CACTVS 3.370OC[C@H]1O[C@](O)(CO[P](O)(O)=O)[C@@H](O)[C@@H]1O
OpenEye OEToolkits 1.7.0C([C@@H]1[C@H]([C@@H]([C@](O1)(COP(=O)(O)O)O)O)O)O

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InChI

InChI 1.03InChI=1S/C6H13O9P/c7-1-3-4(8)5(9)6(10,15-3)2-14-16(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 1.03RHKKZBWRNHGJEZ-ARQDHWQXSA-N

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SYSTEMATIC NAME

ACDLabs 12.011-O-phosphono-beta-D-fructofuranose
OpenEye OEToolkits 1.7.0[(2R,3S,4S,5R)-2,3,4-trihydroxy-5-(hydroxymethyl)oxolan-2-yl]methyl dihydrogen phosphate

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PDB entries

Showing all 5 items

PDB-3o75:
Crystal structure of Cra transcriptional dual regulator from Pseudomonas putida in complex with fructose 1-phosphate'

PDB-8omk:
hKHK-C in complex with ADP & fructose 1-phosphate

PDB-9qv0:
1-Phosphofructokinase (FruK) from E. coli with bound fructose 1-phosphate and ADP

PDB-9qv1:
1-Phosphofructokinase mutant K95H from E. coli with bound fructose 1-phosphate and ADP

PDB-9qv3:
1-Phosphofructokinase mutant K95T/G110S from E. coli with bound fructose 1-phosphate and ADP

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