keto-D-fructose 1,6-bisphosphate (CHEBI:16905)

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CHEBI:16905 - keto-D-fructose 1,6-bisphosphate

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ChEBI Name	keto-D-fructose 1,6-bisphosphate

ChEBI ID	CHEBI:16905

ChEBI ASCII Name	keto-D-fructose 1,6-bisphosphate

Definition	A ketohexose bisphosphate that is D-fructose substituted by phosphate groups at positions 1 and 6.

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

Secondary ChEBI IDs	CHEBI:4120, CHEBI:12924

Supplier Information	ChemicalBook:CB9131644, ChemicalBook:CB2200244, ChemicalBook:CB05477612, eMolecules:491839, eMolecules:29549878, Selleckchem:Estradiol, ZINC000013520815

Download	Molfile XML SDF

more structures >>

Molfile

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The Resolver thinks Mol

P6F - Ideal conformer

Mrv1927 07162111263D

starting HoverWatcher_5

Time for openFile(P6F - Ideal conformer

Mrv1927 07162111263D

34 33 0 0 0 0 999 V2000

5.2260 0.9380 -0.0140 P 0 0 1 0 0 5 0 0 0 0 0 0

5.7870 0.7420 -1.5100 O 0 0 0 0 0 0 0 0 0 0 0 0

6.4280 0.7510 1.0400 O 0 0 0 0 0 0 0 0 0 0 0 0

4.6560 2.2970 0.1240 O 0 0 0 0 0 0 0 0 0 0 0 0

4.0810 -0.1550 0.2780 O 0 0 0 0 0 0 0 0 0 0 0 0

2.8350 -0.1840 -0.4210 C 0 0 1 0 0 0 0 0 0 0 0 0

1.9970 -1.3270 0.0920 C 0 0 0 0 0 0 0 0 0 0 0 0

2.4230 -2.0430 0.9650 O 0 0 0 0 0 0 0 0 0 0 0 0

0.6270 -1.5750 -0.4860 C 0 0 1 0 0 0 0 0 0 0 0 0

0.1820 -2.8800 -0.1100 O 0 0 0 0 0 0 0 0 0 0 0 0

-0.3500 -0.5280 0.0510 C 0 0 2 0 0 0 0 0 0 0 0 0

-0.3240 -0.5390 1.4800 O 0 0 0 0 0 0 0 0 0 0 0 0

-1.7640 -0.8530 -0.4350 C 0 0 2 0 0 0 0 0 0 0 0 0

-1.7910 -0.8420 -1.8640 O 0 0 0 0 0 0 0 0 0 0 0 0

-2.7420 0.1940 0.1010 C 0 0 1 0 0 0 0 0 0 0 0 0

-4.0760 -0.1730 -0.2550 O 0 0 0 0 0 0 0 0 0 0 0 0

-5.3640 0.7050 0.1480 P 0 0 1 0 0 5 0 0 0 0 0 0

-5.3810 0.9120 1.6130 O 0 0 0 0 0 0 0 0 0 0 0 0

-5.2950 2.1320 -0.5950 O 0 0 0 0 0 0 0 0 0 0 0 0

-6.7030 -0.0690 -0.3000 O 0 0 0 0 0 0 0 0 0 0 0 0

6.1760 -0.1280 -1.6730 H 0 0 0 0 0 0 0 0 0 0 0 0

7.1550 1.3780 0.9230 H 0 0 0 0 0 0 0 0 0 0 0 0

2.3060 0.7560 -0.2590 H 0 0 0 0 0 0 0 0 0 0 0 0

3.0190 -0.3170 -1.4870 H 0 0 0 0 0 0 0 0 0 0 0 0

0.6730 -1.5060 -1.5720 H 0 0 0 0 0 0 0 0 0 0 0 0

0.1170 -3.0130 0.8460 H 0 0 0 0 0 0 0 0 0 0 0 0

-0.0600 0.4590 -0.3100 H 0 0 0 0 0 0 0 0 0 0 0 0

-0.5720 -1.3880 1.8710 H 0 0 0 0 0 0 0 0 0 0 0 0

-2.0540 -1.8400 -0.0750 H 0 0 0 0 0 0 0 0 0 0 0 0

-1.5420 0.0070 -2.2550 H 0 0 0 0 0 0 0 0 0 0 0 0

-2.6570 0.2480 1.1870 H 0 0 0 0 0 0 0 0 0 0 0 0

-2.5050 1.1670 -0.3300 H 0 0 0 0 0 0 0 0 0 0 0 0

-5.2810 2.0720 -1.5600 H 0 0 0 0 0 0 0 0 0 0 0 0

-7.5200 0.4030 -0.0880 H 0 0 0 0 0 0 0 0 0 0 0 0

4 1 2 0 0 0 0

2 1 1 0 0 0 0

1 5 1 0 0 0 0

1 3 1 0 0 0 0

2 21 1 0 0 0 0

3 22 1 0 0 0 0

6 5 1 0 0 0 0

6 7 1 0 0 0 0

6 23 1 0 0 0 0

6 24 1 0 0 0 0

9 7 1 0 0 0 0

7 8 2 0 0 0 0

11 9 1 0 0 0 0

9 10 1 0 0 0 0

9 25 1 6 0 0 0

10 26 1 0 0 0 0

13 11 1 0 0 0 0

11 12 1 0 0 0 0

11 27 1 6 0 0 0

12 28 1 0 0 0 0

14 13 1 0 0 0 0

15 13 1 0 0 0 0

13 29 1 1 0 0 0

14 30 1 0 0 0 0

16 15 1 0 0 0 0

15 31 1 0 0 0 0

15 32 1 0 0 0 0

17 16 1 0 0 0 0

18 17 2 0 0 0 0

20 17 1 0 0 0 0

17 19 1 0 0 0 0

19 33 1 0 0 0 0

20 34 1 0 0 0 0

M END): 36 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

340.114

Monoisotopic Mass

339.99605

InChI

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

XPYBSIWDXQFNMH-UYFOZJQFSA-N

SMILES

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

Metabolite of Species	Details
Saccharomyces cerevisiae (NCBI:txid4932)	Source: yeast.sf.net See: PubMed
Homo sapiens (NCBI:txid9606)	See: DOI

Roles Classification
Biological Role(s):	Saccharomyces cerevisiae metabolite Any fungal metabolite produced during a metabolic reaction in Baker's yeast (Saccharomyces cerevisiae ). fundamental metabolite Any metabolite produced by all living cells. (via D-fructose 1,6-bisphosphate )

Application(s):	anticonvulsant A drug used to prevent seizures or reduce their severity.

View more via ChEBI Ontology

ChEBI Ontology
Outgoing	keto-D-fructose 1,6-bisphosphate (CHEBI:16905) has functional parent D-fructose (CHEBI:15824) keto-D-fructose 1,6-bisphosphate (CHEBI:16905) has role Saccharomyces cerevisiae metabolite (CHEBI:75772) keto-D-fructose 1,6-bisphosphate (CHEBI:16905) has role anticonvulsant (CHEBI:35623) keto-D-fructose 1,6-bisphosphate (CHEBI:16905) is a D-fructose 1,6-bisphosphate (CHEBI:78682)

IUPAC Name

D-fructose 1,6-bis(dihydrogen phosphate)

Synonyms	Sources
1,6-di-O-phosphono-D-fructose	ChEBI
D-Fructose 1,6-bisphosphate	KEGG COMPOUND
D-fructose-1,6-diphosphate	ChEBI
fructose-1,6-diphosphate	ChEBI
Harden-Young ester	HMDB

Manual Xrefs	Databases
76632	ChemSpider
C00007386	KNApSAcK
C00354	KEGG COMPOUND
DB13863	DrugBank
FRUCTOSE-16-DIPHOSPHATE	MetaCyc
HMDB0001058	HMDB
P6F	PDBeChem
View more database links

Registry Numbers	Types	Sources
1729954	Reaxys Registry Number	Reaxys
488-69-7	CAS Registry Number	ChemIDplus

Citations	Types	Sources
13150027	PubMed citation	Europe PMC
16233003	PubMed citation	Europe PMC
19049602	PubMed citation	Europe PMC
19236002	PubMed citation	Europe PMC
21983965	PubMed citation	Europe PMC
25206915	PubMed citation	Europe PMC
26011931	PubMed citation	Europe PMC
28972169	PubMed citation	Europe PMC
29593097	PubMed citation	Europe PMC
4610358	PubMed citation	Europe PMC

Last Modified

16 July 2021

CHEBI:16905 - keto-D-fructose 1,6-bisphosphate

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