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Fructose 1,6-Bisphosphate Sodium

Fructose 1,6-Bisphosphate Sodium

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Also known as: Beta-d-fructose 1,6-bisphosphate, Fructose-1,6-diphosphate, Beta-d-fructofuranose 1,6-bisphosphate, Beta-fructose-1,6-diphosphate, 34693-15-7, Fbp

Molecular Formula

C₆H₁₄O₁₂P₂

Molecular Weight

340.12 g/mol

InChI Key

RNBGYGVWRKECFJ-ARQDHWQXSA-N

FDA UNII

WCH874XLB1

Fructose-1,6-bisphosphate is a metabolite found in the aging mouse brain.

1 2D Structure

Fructose 1,6-Bisphosphate Sodium

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

[(2R,3S,4S,5R)-2,3,4-trihydroxy-5-(phosphonooxymethyl)oxolan-2-yl]methyl dihydrogen phosphate

2.1.2 InChI

InChI=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

2.1.3 InChI Key

RNBGYGVWRKECFJ-ARQDHWQXSA-N

2.1.4 Canonical SMILES

C(C1C(C(C(O1)(COP(=O)(O)O)O)O)O)OP(=O)(O)O

2.1.5 Isomeric SMILES

C([C@@H]1[C@H]([C@@H]([C@](O1)(COP(=O)(O)O)O)O)O)OP(=O)(O)O

2.2 Other Identifiers

2.2.1 UNII

WCH874XLB1

2.3 Synonyms

2.3.1 MeSH Synonyms

1. Fructose 1,6-bisphosphate

2. Fructose 1,6-diphosphate

3. Fructose-1,6-diphosphate

4. Fructose-1,6-diphosphate Magnesium Salt

5. Fructose-1,6-diphosphate, (alpha-d)-isomer

6. Fructose-1,6-diphosphate, (beta-d)-isomer

7. Fructose-1,6-diphosphate, (l)-isomer

8. Fructose-1,6-diphosphate, 2-(18)o-labeled

9. Fructose-1,6-diphosphate, Barium (1:2) Salt

10. Fructose-1,6-diphosphate, Calcium (1:2) Salt

11. Fructose-1,6-diphosphate, Calcium Salt

12. Fructose-1,6-diphosphate, Disodium Salt

13. Fructose-1,6-diphosphate, Monosodium Salt

14. Fructose-1,6-diphosphate, Sodium Salt, Monohydrate

15. Fructose-1,6-diphosphate, Tetrapotassium Salt

16. Fructose-1,6-diphosphate, Tetrasodium Salt

17. Fructose-1,6-diphosphate, Trisodium Salt

18. Sr-fdp

19. Strontium Fructose 1,6-diphosphate

20. Strontium Fructose-1,6-diphosphate

2.3.2 Depositor-Supplied Synonyms

1. Beta-d-fructose 1,6-bisphosphate

2. Fructose-1,6-diphosphate

3. Beta-d-fructofuranose 1,6-bisphosphate

4. Beta-fructose-1,6-diphosphate

5. 34693-15-7

6. Fbp

7. Fructose 1,6-diphosphate

8. Chebi:28013

9. Fructose 1,6-bisphosphate

10. Fructose-1,6-bisphosphate

11. D-fructose-1,6-diphosphate

12. Esafosfan

13. Beta-d-fructofuranose 1,6-bis(dihydrogen Phosphate)

14. Diphosphofructose

15. [(2r,3s,4s,5r)-2,3,4-trihydroxy-5-(phosphonooxymethyl)oxolan-2-yl]methyl Dihydrogen Phosphate

16. D-fructose 1,6-biphosphate

17. 488-69-7

18. Ncgc00166321-01

19. Fructose Bisphosphate

20. Fructose 1,6-bis

21. Esafosfina

22. Beta Fructose 1,6-diphosphate

23. 1bo5

24. Bmse000011

25. Wch874xlb1

26. D-fructose 1,6-diphosphate

27. D-fructose-1,6-bisphosphate

28. Chembl97893

29. Schembl168244

30. .beta.-d-fructofuranose, 1,6-bis(dihydrogen Phosphate)

31. Dtxsid0048347

32. Beta-d-fructose-1,6-diphosphate

33. .beta.-d-fosfructofuranose

34. Zinc4096694

35. Einecs 251-977-7

36. Db04551

37. C05378

38. .beta.-d-fructofuranose 1,6-diphosphate

39. Q414945

40. Beta-d-fructofuranose, 1,6-bis(dihydrogen Phosphate)

41. Beta-d-fructofuranose 1,6-bisphosphate (rssr Closed Ring)

42. 16eb39bb-b854-429f-972f-0d8401178a36

43. Wurcs=2.0/1,1,0/[ha122h-2b_2-5_1*opo/3o/3=o_6*opo/3o/3=o]/1/

2.4 Create Date

2004-09-16

3 Chemical and Physical Properties

Molecular Formula	C₆H₁₄O₁₂P₂
Molecular Weight	340.12 g/mol
XLogP3	-5.6
Hydrogen Bond Donor Count	7
Hydrogen Bond Acceptor Count	12
Rotatable Bond Count	6
Exact Mass	339.99604987 g/mol
Monoisotopic Mass	339.99604987 g/mol
Topological Polar Surface Area	203 Å²
Heavy Atom Count	20
Formal Charge	0
Complexity	428
Isotope Atom Count	0
Defined Atom Stereocenter Count	4
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1

4 Pharmacology and Biochemistry

4.1 MeSH Pharmacological Classification

Anti-Arrhythmia Agents

Agents used for the treatment or prevention of cardiac arrhythmias. They may affect the polarization-repolarization phase of the action potential, its excitability or refractoriness, or impulse conduction or membrane responsiveness within cardiac fibers. Anti-arrhythmia agents are often classed into four main groups according to their mechanism of action: sodium channel blockade, beta-adrenergic blockade, repolarization prolongation, or calcium channel blockade. (See all compounds classified as Anti-Arrhythmia Agents.)

Cardiovascular Agents

Agents that affect the rate or intensity of cardiac contraction, blood vessel diameter, or blood volume. (See all compounds classified as Cardiovascular Agents.)

Immunologic Factors

Biologically active substances whose activities affect or play a role in the functioning of the immune system. (See all compounds classified as Immunologic Factors.)

Neuroprotective Agents

Drugs intended to prevent damage to the brain or spinal cord from ischemia, stroke, convulsions, or trauma. Some must be administered before the event, but others may be effective for some time after. They act by a variety of mechanisms, but often directly or indirectly minimize the damage produced by endogenous excitatory amino acids. (See all compounds classified as Neuroprotective Agents.)

4.2 ATC Code

C - Cardiovascular system

C01 - Cardiac therapy

C01E - Other cardiac preparations

C01EB - Other cardiac preparations

C01EB07 - Fructose 1,6-diphosphate