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- ChemComp-P6P: 6-O-phosphono-alpha-D-fructofuranose -

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Basic information

EntryDatabase: PDB chemical components / ID: P6P
NameName: 6-O-phosphono-alpha-D-fructofuranose
Synonyms: alpha fructose-6-phosphate; 6-O-phosphono-alpha-D-fructose; 6-O-phosphono-D-fructose; 6-O-phosphono-fructose

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Chemical information

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

3ifc

Z9N

Type: D-saccharide, alpha linking / PDB classification: ATOMS / Three letter code: P6P / Ideal coordinates details: Corina / Model coordinates PDB-ID: 3IFC / Parent comp.: Z9N
History
Create componentAug 17, 2009
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 / 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)(O)OCC1OC(O)(CO)C(O)C1O
CACTVS 3.352OC[C]1(O)O[CH](CO[P](O)(O)=O)[CH](O)[CH]1O
OpenEye OEToolkits 1.7.0C(C1C(C(C(O1)(CO)O)O)O)OP(=O)(O)O

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SMILES CANONICAL

CACTVS 3.352OC[C@]1(O)O[C@H](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)(CO)O)O)O)OP(=O)(O)O

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InChI

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

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SYSTEMATIC NAME

ACDLabs 11.026-O-phosphono-alpha-D-fructofuranose
OpenEye OEToolkits 1.6.1[(2R,3S,4S,5S)-3,4,5-trihydroxy-5-(hydroxymethyl)oxolan-2-yl]methyl dihydrogen phosphate

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IUPAC CARBOHYDRATE SYMBOL

PDB-CARE 1.0a-D-Fruf6PO3

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PDB entries

Showing all 1 items

PDB-3ifc:
Human muscle fructose-1,6-bisphosphatase E69Q mutant in complex with AMP and alpha fructose-6-phosphate

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