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- ChemComp-AFP: 1,6-di-O-phosphono-alpha-D-fructofuranose -

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Basic information

EntryDatabase: PDB chemical components / ID: AFP
NameName: 1,6-di-O-phosphono-alpha-D-fructofuranose
Synonyms: ALPHA FRUCTOSE 1,6-DIPHOSPHATE; 1,6-di-O-phosphono-alpha-D-fructose; 1,6-di-O-phosphono-D-fructose;

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Chemical information

Composition
Formula: C6H14O12P2 / Number of atoms: 34 / Formula weight: 340.116 / Formal charge: 0
Others

1fbh

Z9N

Type: D-saccharide, alpha linking / PDB classification: ATOMS / Three letter code: AFP / Model coordinates PDB-ID: 1FBH / Parent comp.: Z9N
History
Create componentJul 8, 1999
Modify descriptorJun 4, 2011
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 / BindingDB / Brenda / ChEBI / ChEMBL / Metabolights / Nikkaji / PubChem / 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 10.04O=P(O)(O)OCC1OC(O)(COP(=O)(O)O)C(O)C1O
CACTVS 3.341O[CH]1[CH](O)[C](O)(CO[P](O)(O)=O)O[CH]1CO[P](O)(O)=O
OpenEye OEToolkits 1.5.0C(C1C(C(C(O1)(COP(=O)(O)O)O)O)O)OP(=O)(O)O

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SMILES CANONICAL

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

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InChI

InChI 1.03InChI=1S/C6H14O12P2/c7-4-3(1-16-19(10,11)12)18-6(9,5(4)8)2-17-20(13,14)15/h3-5,7-9H,1-2H2,(H2,10,11,12)(H2,13,14,15)/t3-,4-,5+,6+/m1/s1

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InChIKey

InChI 1.03RNBGYGVWRKECFJ-ZXXMMSQZSA-N

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SYSTEMATIC NAME

ACDLabs 10.041,6-di-O-phosphono-alpha-D-fructofuranose
OpenEye OEToolkits 1.5.0[(2S,3S,4S,5R)-2,3,4-trihydroxy-5-(phosphonooxymethyl)oxolan-2-yl]methyl dihydrogen phosphate

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IUPAC CARBOHYDRATE SYMBOL

PDB-CARE 1.0a-D-Fruf1PO36PO3

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PDB entries

Showing all 2 items

PDB-1fbh:
CRYSTALLOGRAPHIC STUDIES OF THE CATALYTIC MECHANISM OF THE NEUTRAL FORM OF FRUCTOSE-1,6-BISPHOSPHATASE

PDB-1llc:
STRUCTURE DETERMINATION OF THE ALLOSTERIC L-LACTATE DEHYDROGENASE FROM LACTOBACILLUS CASEI AT 3.0 ANGSTROMS RESOLUTION

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