P6F

1,6-di-O-phosphono-D-fructose

Created:	2009-03-02
Last modified:	2024-09-27

Find Related PDB Entry
4 entries where P6F is found as a standalone ligand5 entries where P6F is covalently linked to polymer or other heterogen groups

Find related ligands:

Similar Ligands (Stereospecific) Similar Ligands (including Stereoisomers) Similar Ligands (Quick Screen) Similar Ligands (Substructure Stereospecific) Similar Ligands (Substructure including Stereoisomers)

Chemical Details
Formal Charge	0
Atom Count	34
Chiral Atom Count	3
Bond Count	33
Aromatic Bond Count	0

2D diagram of P6F

Toggle Hydrogen Toggle Labels

Chemical Component Summary
Name	1,6-di-O-phosphono-D-fructose
Systematic Name (OpenEye OEToolkits)	[(3S,4R,5R)-3,4,5-trihydroxy-2-oxo-6-phosphonooxy-hexyl] dihydrogen phosphate
Formula	C₆ H₁₄ O₁₂ P₂
Molecular Weight	340.116
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	O=P(O)(O)OCC(=O)C(O)C(O)C(O)COP(=O)(O)O
SMILES	CACTVS	3.341	O[CH](CO[P](O)(O)=O)[CH](O)[CH](O)C(=O)CO[P](O)(O)=O
SMILES	OpenEye OEToolkits	1.5.0	C(C(C(C(C(=O)COP(=O)(O)O)O)O)O)OP(=O)(O)O
Canonical SMILES	CACTVS	3.341	O[C@H](CO[P](O)(O)=O)[C@@H](O)[C@H](O)C(=O)CO[P](O)(O)=O
Canonical SMILES	OpenEye OEToolkits	1.5.0	C([C@H]([C@H]([C@@H](C(=O)COP(=O)(O)O)O)O)O)OP(=O)(O)O
InChI	InChI	1.03	InChI=1S/C6H14O12P2/c7-3(1-17-19(11,12)13)5(9)6(10)4(8)2-18-20(14,15)16/h3,5-7,9-10H,1-2H2,(H2,11,12,13)(H2,14,15,16)/t3-,5-,6-/m1/s1
InChIKey	InChI	1.03	XPYBSIWDXQFNMH-UYFOZJQFSA-N

Drug Info: DrugBank

DrugBank ID	DB13863
Name	Fosfructose
Groups	experimental
Synonyms	keto-D-fructose 1,6-bisphosphate Harden-young ester D-fructose 1,6-bisphosphate Fructose 1,6-diphosphate Fructose-1,6-diphosphate Fructose 1,6-bisphosphate Fosfructose trisodium 1,6-di-O-phosphono-D-fructose Fosfructose
Categories	Antiarrhythmic agents Carbohydrates Cardiac Therapy Cardiovascular Agents Central Nervous System Agents Compounds used in a research, industrial, or household setting Fructosephosphates Hexosediphosphates Hexosephosphates Immunologic Factors Neuroprotective Agents Protective Agents Sugar Phosphates
ATC-Code	C01EB07
CAS number	488-69-7

Related Resource References

Resource Name	Reference
Pharos	CHEMBL1235112
PubChem	84951
ChEMBL	CHEMBL1235112
ChEBI	CHEBI:16905

RCSB PDB Core Operations are funded by the U.S. National Science Foundation (DBI-2321666), the US Department of Energy (DE-SC0019749), and the National Cancer Institute, National Institute of Allergy and Infectious Diseases, and National Institute of General Medical Sciences of the National Institutes of Health under grant R01GM157729.