beta-D-fructofuranose 1,6-bisphosphate (CHEBI:28013)

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CHEBI:28013 - β-D-fructofuranose 1,6-bisphosphate

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

ChEBI ID	CHEBI:28013

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

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

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

Secondary ChEBI IDs	CHEBI:42553, CHEBI:41014, CHEBI:22767, CHEBI:10374

Supplier Information	ZINC000004096694

Download	Molfile XML SDF

more structures >>

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The Resolver thinks Mol

Mrv0541 06031411373D

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Mrv0541 06031411373D

34 34 0 0 1 0 999 V2000

-2.1603 -0.2659 -0.2191 C 0 0 2 0 0 0 0 0 0 0 0 0

-1.8658 -1.7776 -0.1096 C 0 0 1 0 0 0 0 0 0 0 0 0

-0.3741 -1.8404 0.3031 C 0 0 2 0 0 0 0 0 0 0 0 0

-2.6612 0.1317 -1.4940 O 0 0 0 0 0 0 0 0 0 0 0 0

-2.7081 -2.4253 0.8439 O 0 0 0 0 0 0 0 0 0 0 0 0

-0.1009 -0.5423 0.8599 O 0 0 0 0 0 0 0 0 0 0 0 0

0.5613 -2.2646 -0.8633 C 0 0 1 0 0 0 0 0 0 0 0 0

-1.0470 1.7685 0.9067 C 0 0 1 0 0 0 0 0 0 0 0 0

-0.8255 0.4482 0.1195 C 0 0 2 0 0 0 0 0 0 0 0 0

-0.0378 0.7598 -1.0348 O 0 0 0 0 0 0 0 0 0 0 0 0

1.8594 -2.1277 -0.5587 O 0 0 0 0 0 0 0 0 0 0 0 0

4.2473 -2.1213 -0.7376 O 0 0 0 0 0 0 0 0 0 0 0 0

2.9315 -1.0183 -2.3501 O 0 0 0 0 0 0 0 0 0 0 0 0

3.0025 -2.1558 -1.4646 P 0 0 2 0 0 0 0 0 0 0 0 0

3.0024 -3.3533 -2.2632 O 0 0 0 0 0 0 0 0 0 0 0 0

0.0883 2.4253 1.1864 O 0 0 0 0 0 0 0 0 0 0 0 0

1.6293 4.0670 1.9555 O 0 0 0 0 0 0 0 0 0 0 0 0

-0.3999 4.7544 1.0375 O 0 0 0 0 0 0 0 0 0 0 0 0

0.2347 3.7283 1.8252 P 0 0 1 0 0 0 0 0 0 0 0 0

-0.3800 3.7063 3.1307 O 0 0 0 0 0 0 0 0 0 0 0 0

-2.9377 -0.0049 0.5057 H 0 0 0 0 0 0 0 0 0 0 0 0

-2.0588 -2.2792 -1.0623 H 0 0 0 0 0 0 0 0 0 0 0 0

-0.2251 -2.5606 1.1133 H 0 0 0 0 0 0 0 0 0 0 0 0

-3.5323 -0.3088 -1.5774 H 0 0 0 0 0 0 0 0 0 0 0 0

-2.4626 -3.3740 0.7966 H 0 0 0 0 0 0 0 0 0 0 0 0

0.3572 -3.3131 -1.1031 H 0 0 0 0 0 0 0 0 0 0 0 0

0.2994 -1.6807 -1.7515 H 0 0 0 0 0 0 0 0 0 0 0 0

-1.7030 2.4022 0.2983 H 0 0 0 0 0 0 0 0 0 0 0 0

-1.5789 1.5399 1.8361 H 0 0 0 0 0 0 0 0 0 0 0 0

-0.5444 1.4301 -1.5366 H 0 0 0 0 0 0 0 0 0 0 0 0

4.4836 -1.4122 -0.2739 H 0 0 0 0 0 0 0 0 0 0 0 0

3.4270 -0.9801 -3.0756 H 0 0 0 0 0 0 0 0 0 0 0 0

2.1253 4.1940 1.2389 H 0 0 0 0 0 0 0 0 0 0 0 0

-0.6456 4.4506 3.5173 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): 19 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

Script completed

Jmol script terminated

Molfile expand

Formula

C6H14O12P2

Net Charge

Average Mass

340.11570

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-ARQDHWQXSA-N

SMILES

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

Metabolite of Species	Details
Mus musculus (NCBI:txid10090)	Source: BioModels - MODEL1507180067 See: PubMed

Roles Classification
Biological Role(s):	mouse metabolite Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus). fundamental metabolite Any metabolite produced by all living cells. (via D-fructose 1,6-bisphosphate )

View more via ChEBI Ontology

ChEBI Ontology
Outgoing	β-D-fructofuranose 1,6-bisphosphate (CHEBI:28013) has functional parent β-D-fructofuranose (CHEBI:28645) β-D-fructofuranose 1,6-bisphosphate (CHEBI:28013) has role mouse metabolite (CHEBI:75771) β-D-fructofuranose 1,6-bisphosphate (CHEBI:28013) is a D-fructofuranose 1,6-bisphosphate (CHEBI:37736) β-D-fructofuranose 1,6-bisphosphate (CHEBI:28013) is conjugate acid of β-D-fructofuranose 1,6-bisphosphate(4−) (CHEBI:32966)

Incoming	β-D-fructofuranose 1,6-bisphosphate(4−) (CHEBI:32966) is conjugate base of β-D-fructofuranose 1,6-bisphosphate (CHEBI:28013)

IUPAC Name

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

Synonyms	Sources
1,6-di-O-phosphono-β-D-fructofuranose	IUPAC
BETA FRUCTOSE 1,6-DIPHOSPHATE	PDBeChem
beta-D-Fructose 1,6-bisphosphate	KEGG COMPOUND
Fosfructose	HMDB

Manual Xrefs	Databases
C05378	KEGG COMPOUND
DB04551	DrugBank
FBP	PDBeChem
View more database links

Registry Numbers	Types	Sources
1690982	Reaxys Registry Number	Reaxys
488-69-7	CAS Registry Number	ChemIDplus

Last Modified

27 January 2016

CHEBI:28013 - β-D-fructofuranose 1,6-bisphosphate

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