alpha-D-fructofuranose 1,6-bisphosphate (CHEBI:40595)

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CHEBI:40595 - α-D-fructofuranose 1,6-bisphosphate

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ChEBI Name	α-D-fructofuranose 1,6-bisphosphate

ChEBI ID	CHEBI:40595

ChEBI ASCII Name	alpha-D-fructofuranose 1,6-bisphosphate

Definition	A D-fructofuranose 1,6-bisphosphate with an α-configuration at the anomeric position.

Stars	This entity has been manually annotated by the ChEBI Team.

Secondary ChEBI IDs	CHEBI:40591, CHEBI:32967

Supplier Information	No supplier information found for this compound.

Download	Molfile XML SDF

more structures >>

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34 34 0 0 1 0 999 V2000

-1.4656 -0.7500 1.5264 C 0 0 2 0 0 0 0 0 0 0 0 0

-0.2978 -1.7566 1.5027 C 0 0 1 0 0 0 0 0 0 0 0 0

0.8357 -1.0234 0.7396 C 0 0 2 0 0 0 0 0 0 0 0 0

-2.5155 -1.2124 0.6710 O 0 0 0 0 0 0 0 0 0 0 0 0

0.1104 -2.1653 2.8061 O 0 0 0 0 0 0 0 0 0 0 0 0

0.2100 0.1345 0.1589 O 0 0 0 0 0 0 0 0 0 0 0 0

1.5306 -1.9214 -0.3152 C 0 0 0 0 0 0 0 0 0 0 0 0

-1.8493 1.5223 0.3328 C 0 0 0 0 0 0 0 0 0 0 0 0

-0.8342 0.5809 1.0403 C 0 0 1 0 0 0 0 0 0 0 0 0

-0.2763 1.3081 2.1423 O 0 0 0 0 0 0 0 0 0 0 0 0

2.5678 -1.3383 -0.9356 O 0 0 0 0 0 0 0 0 0 0 0 0

4.4062 -0.9714 -2.4252 O 0 0 0 0 0 0 0 0 0 0 0 0

2.6347 -2.3717 -3.0841 O 0 0 0 0 0 0 0 0 0 0 0 0

3.4265 -1.9228 -1.9637 P 0 0 2 0 0 0 0 0 0 0 0 0

4.1460 -3.0555 -1.4429 O 0 0 0 0 0 0 0 0 0 0 0 0

-1.3600 2.7109 -0.0565 O 0 0 0 0 0 0 0 0 0 0 0 0

-1.2219 4.9105 -0.9885 O 0 0 0 0 0 0 0 0 0 0 0 0

-2.7377 3.3902 -1.8898 O 0 0 0 0 0 0 0 0 0 0 0 0

-2.0995 3.8131 -0.6698 P 0 0 1 0 0 0 0 0 0 0 0 0

-3.1289 4.2808 0.2274 O 0 0 0 0 0 0 0 0 0 0 0 0

-1.9008 -0.6418 2.5236 H 0 0 0 0 0 0 0 0 0 0 0 0

-0.6088 -2.6745 0.9935 H 0 0 0 0 0 0 0 0 0 0 0 0

1.6016 -0.6809 1.4454 H 0 0 0 0 0 0 0 0 0 0 0 0

-2.8118 -2.0647 1.0507 H 0 0 0 0 0 0 0 0 0 0 0 0

0.8170 -2.8269 2.6474 H 0 0 0 0 0 0 0 0 0 0 0 0

1.8716 -2.8286 0.1972 H 0 0 0 0 0 0 0 0 0 0 0 0

0.7722 -2.2131 -1.0493 H 0 0 0 0 0 0 0 0 0 0 0 0

-2.2373 1.0032 -0.5493 H 0 0 0 0 0 0 0 0 0 0 0 0

-2.6851 1.6734 1.0264 H 0 0 0 0 0 0 0 0 0 0 0 0

0.3782 0.7113 2.5620 H 0 0 0 0 0 0 0 0 0 0 0 0

4.1613 -0.2462 -2.8588 H 0 0 0 0 0 0 0 0 0 0 0 0

2.9772 -2.9063 -3.6926 H 0 0 0 0 0 0 0 0 0 0 0 0

-0.5896 4.8118 -1.5933 H 0 0 0 0 0 0 0 0 0 0 0 0

-3.8269 4.7209 -0.0791 H 0 0 0 0 0 0 0 0 0 0 0 0

9 1 1 0 0 0 0

9 6 1 0 0 0 0

1 4 1 0 0 0 0

1 2 1 0 0 0 0

2 5 1 0 0 0 0

2 3 1 0 0 0 0

3 6 1 0 0 0 0

3 7 1 0 0 0 0

7 11 1 0 0 0 0

9 8 1 0 0 0 0

8 16 1 0 0 0 0

9 10 1 0 0 0 0

11 14 1 0 0 0 0

14 12 1 0 0 0 0

14 13 1 0 0 0 0

14 15 2 0 0 0 0

16 19 1 0 0 0 0

19 17 1 0 0 0 0

19 18 2 0 0 0 0

19 20 1 0 0 0 0

1 21 1 0 0 0 0

2 22 1 0 0 0 0

3 23 1 0 0 0 0

4 24 1 0 0 0 0

5 25 1 0 0 0 0

7 26 1 0 0 0 0

7 27 1 0 0 0 0

8 28 1 0 0 0 0

8 29 1 0 0 0 0

10 30 1 0 0 0 0

12 31 1 0 0 0 0

13 32 1 0 0 0 0

17 33 1 0 0 0 0

20 34 1 0 0 0 0

M END): 18 ms

reading 34 atoms

ModelSet: haveSymmetry:false haveUnitcells:false haveFractionalCoord:false

1 model in this collection. Use getProperty "modelInfo" or getProperty "auxiliaryInfo" to inspect them.

Default Van der Waals type for model set to Babel

34 atoms created

ModelSet: not autobonding; use forceAutobond=true to force automatic bond creation

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Molfile expand

Formula

C6H14O12P2

Net Charge

Average Mass

340.11568

Monoisotopic Mass

339.99605

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

InChIKey

RNBGYGVWRKECFJ-ZXXMMSQZSA-N

SMILES

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

Roles Classification
Biological Role(s):	fundamental metabolite Any metabolite produced by all living cells. (via D-fructose 1,6-bisphosphate )

View more via ChEBI Ontology

ChEBI Ontology
Outgoing	α-D-fructofuranose 1,6-bisphosphate (CHEBI:40595) has functional parent α-D-fructofuranose (CHEBI:37720) α-D-fructofuranose 1,6-bisphosphate (CHEBI:40595) is a D-fructofuranose 1,6-bisphosphate (CHEBI:37736) α-D-fructofuranose 1,6-bisphosphate (CHEBI:40595) is conjugate acid of α-D-fructofuranose 1,6-bisphosphate(4−) (CHEBI:32968)

Incoming	α-D-fructofuranose 1,6-bisphosphate(4−) (CHEBI:32968) is conjugate base of α-D-fructofuranose 1,6-bisphosphate (CHEBI:40595)

IUPAC Name

α-D-fructofuranose 1,6-bis(dihydrogen phosphate)

Synonyms	Sources
1,6-di-O-phosphono-α-D-fructofuranose	IUPAC
ALPHA FRUCTOSE 1,6-DIPHOSPHATE	PDBeChem

Manual Xref	Database
AFP	PDBeChem
View more database links

Registry Numbers	Types	Sources
1690981	Beilstein Registry Number	Beilstein
1690981	Reaxys Registry Number	Reaxys

Last Modified

23 October 2015

CHEBI:40595 - α-D-fructofuranose 1,6-bisphosphate

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