Showing Compound beta-D-Fructose 6-phosphate (FDB023276)

Record Information

Version

1.0

Creation date

2011-09-21 00:27:19 UTC

Update date

2020-09-17 15:41:27 UTC

Primary ID

FDB023276

Secondary Accession Numbers

Not Available

Chemical Information

FooDB Name

beta-D-Fructose 6-phosphate

Description

Beta-D-Fructose 6-phosphate, also known as 6-O-phosphono-b-D-fructofuranose or b-D-fructose 6-phosphoric acid, belongs to the class of organic compounds known as pentose phosphates. These are carbohydrate derivatives containing a pentose substituted by one or more phosphate groups. A D-fructofuranose 6-phosphate with a beta-configuration at the anomeric position. Beta-D-Fructose 6-phosphate is an extremely weak basic (essentially neutral) compound (based on its pKa). Beta-D-Fructose 6-phosphate exists in all living species, ranging from bacteria to humans.

CAS Number

Not Available

Structure

MOL SDF PDB SMILES InChI

Synonyms

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Synonym	Source
6-O-ONO-b-D-Fructofuranose	Generator
6-O-ONO-beta-D-Fructofuranose	ChEBI
6-O-ONO-β-D-fructofuranose	Generator
6-O-Phosphono-b-D-fructofuranose	Generator
6-O-Phosphono-beta-D-fructofuranose	ChEBI
6-O-Phosphono-β-D-fructofuranose	Generator
b-D-Fructose 6-ate	Generator
b-D-Fructose 6-ic acid	Generator
b-D-Fructose 6-phosphate	Generator
b-D-Fructose 6-phosphoric acid	Generator

Showing 1 to 10 of 21 entries

Predicted Properties

Property	Value	Source
Water Solubility	33.4 g/L	ALOGPS
logP	-2.1	ALOGPS
logP	-2.9	ChemAxon
logS	-0.89	ALOGPS
pKa (Strongest Acidic)	1.22	ChemAxon
pKa (Strongest Basic)	-3.5	ChemAxon
Physiological Charge	-2	ChemAxon
Hydrogen Acceptor Count	8	ChemAxon
Hydrogen Donor Count	6	ChemAxon
Polar Surface Area	156.91 Å²	ChemAxon
Rotatable Bond Count	4	ChemAxon
Refractivity	47.23 m³·mol⁻¹	ChemAxon
Polarizability	20.92 Å³	ChemAxon
Number of Rings	1	ChemAxon
Bioavailability	Yes	ChemAxon
Rule of Five	No	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	No	ChemAxon

Chemical Formula

C6H13O9P

IUPAC name

{[(2R,3S,4S,5R)-3,4,5-trihydroxy-5-(hydroxymethyl)oxolan-2-yl]methoxy}phosphonic acid

InChI Identifier

InChI=1S/C6H13O9P/c7-2-6(10)5(9)4(8)3(15-6)1-14-16(11,12)13/h3-5,7-10H,1-2H2,(H2,11,12,13)/t3-,4-,5+,6-/m1/s1

InChI Key

BGWGXPAPYGQALX-ARQDHWQXSA-N

Isomeric SMILES

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

Average Molecular Weight

260.1358

Monoisotopic Molecular Weight

260.029718526

Classification

Description

Belongs to the class of organic compounds known as pentose phosphates. These are carbohydrate derivatives containing a pentose substituted by one or more phosphate groups.

Kingdom

Organic compounds

Super Class

Organic oxygen compounds

Class

Organooxygen compounds

Sub Class

Carbohydrates and carbohydrate conjugates

Direct Parent

Pentose phosphates

Alternative Parents

Substituents

Pentose phosphate
Pentose-5-phosphate
C-glycosyl compound
Glycosyl compound
Monosaccharide phosphate
Monoalkyl phosphate
Phosphoric acid ester
Organic phosphoric acid derivative
Alkyl phosphate
Tetrahydrofuran
Secondary alcohol
Hemiacetal
Polyol
Organoheterocyclic compound
Oxacycle
Primary alcohol
Alcohol
Hydrocarbon derivative
Organic oxide
Aliphatic heteromonocyclic compound

Molecular Framework

Aliphatic heteromonocyclic compounds

External Descriptors

D-fructofuranose 6-phosphate (CHEBI:16084 )

Ontology

Disposition

Source:

Endogenous

Biological location:

Subcellular:

Cytoplasm

Organ and components:

Prostate

Physico-Chemical Properties

Physico-Chemical Properties - Experimental

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Property	Value	Reference
Boiling Point	Not Available
Charge	Not Available
Density	Not Available
Experimental logP	Not Available
Experimental pKa	Not Available
Experimental Water Solubility	Not Available
Isoelectric point	Not Available
Mass Composition	Not Available
Melting Point	Not Available
Optical Rotation	Not Available

Showing 1 to 10 of 14 entries

Spectra

EI-MS/GC-MS

Type	Description	Splash Key	View
GC-MS	beta-D-Fructose 6-phosphate, non-derivatized, GC-MS Spectrum	splash10-00di-9422000000-bee9b5c8192cd70afd4b	Spectrum
GC-MS	beta-D-Fructose 6-phosphate, non-derivatized, GC-MS Spectrum	splash10-00di-9422000000-bee9b5c8192cd70afd4b	Spectrum
Predicted GC-MS	beta-D-Fructose 6-phosphate, non-derivatized, Predicted GC-MS Spectrum - 70eV, Positive	splash10-0005-9330000000-5c27e76b48f712dafdf1	Spectrum
Predicted GC-MS	beta-D-Fructose 6-phosphate, 4 TMS, Predicted GC-MS Spectrum - 70eV, Positive	splash10-0540-8097650000-bd7cf45abb555a5c08da	Spectrum
Predicted GC-MS	beta-D-Fructose 6-phosphate, non-derivatized, Predicted GC-MS Spectrum - 70eV, Positive	Not Available	Spectrum

MS/MS

Type	Description	Splash Key	View
MS/MS	LC-MS/MS Spectrum - LC-ESI-ITFT , negative	splash10-0002-9200000000-890d2bc5c099d333bb87	2017-09-14	View Spectrum
MS/MS	LC-MS/MS Spectrum - LC-ESI-ITFT , negative	splash10-0a4i-0090000000-9e5a9a987b6541abb2c7	2017-09-14	View Spectrum
MS/MS	LC-MS/MS Spectrum - LC-ESI-ITFT , negative	splash10-0ab9-0000509000-ba24f5137a9692d147ab	2017-09-14	View Spectrum
Predicted MS/MS	Predicted LC-MS/MS Spectrum - 10V, Positive	splash10-03di-2980000000-6b021fc643037857d79c	2015-09-14	View Spectrum
Predicted MS/MS	Predicted LC-MS/MS Spectrum - 20V, Positive	splash10-03dj-6950000000-9aeea6f58646b1ddfd2d	2015-09-14	View Spectrum
Predicted MS/MS	Predicted LC-MS/MS Spectrum - 40V, Positive	splash10-00ds-9300000000-163fede30ff57a757356	2015-09-14	View Spectrum
Predicted MS/MS	Predicted LC-MS/MS Spectrum - 10V, Negative	splash10-0a6r-7390000000-3b9471399e651e34edcb	2015-09-15	View Spectrum
Predicted MS/MS	Predicted LC-MS/MS Spectrum - 20V, Negative	splash10-004i-9000000000-107d49541ec3b4b1213f	2015-09-15	View Spectrum
Predicted MS/MS	Predicted LC-MS/MS Spectrum - 40V, Negative	splash10-004i-9000000000-9182363b16cd6b3e720b	2015-09-15	View Spectrum
Predicted MS/MS	Predicted LC-MS/MS Spectrum - 10V, Negative	splash10-0a4i-3090000000-7ae40fd439a28bd2393e	2021-09-22	View Spectrum
Predicted MS/MS	Predicted LC-MS/MS Spectrum - 20V, Negative	splash10-004i-9010000000-53fac253975be4bb66f7	2021-09-22	View Spectrum
Predicted MS/MS	Predicted LC-MS/MS Spectrum - 40V, Negative	splash10-004i-9000000000-a5e502a2627af2048a1f	2021-09-22	View Spectrum
Predicted MS/MS	Predicted LC-MS/MS Spectrum - 10V, Positive	splash10-03dj-1790000000-cf4773c8e21b0c55570e	2021-09-23	View Spectrum
Predicted MS/MS	Predicted LC-MS/MS Spectrum - 20V, Positive	splash10-0002-9810000000-21980e2a6a612b295b9d	2021-09-23	View Spectrum
Predicted MS/MS	Predicted LC-MS/MS Spectrum - 40V, Positive	splash10-000t-9000000000-a08dc200cb22f420d5bc	2021-09-23	View Spectrum

NMR

Not Available

External Links

ChemSpider ID

ChEMBL ID

KEGG Compound ID

Pubchem Compound ID

Pubchem Substance ID

Not Available

ChEBI ID

16084

Phenol-Explorer ID

Not Available

DrugBank ID

Not Available

HMDB ID

HMDB03971

CRC / DFC (Dictionary of Food Compounds) ID

Not Available

EAFUS ID

Not Available

Dr. Duke ID

Not Available

BIGG ID

Not Available

KNApSAcK ID

Not Available

HET ID

F6P

Food Biomarker Ontology

Not Available

VMH ID

Not Available

Flavornet ID

Not Available

GoodScent ID

Not Available

SuperScent ID

Not Available

Wikipedia ID

Not Available

Phenol-Explorer Metabolite ID

Not Available

Duplicate IDS

Not Available

Old DFC IDS

Not Available

Associated Foods

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Food	Content Range	Average	Reference

Processing...

Biological Effects and Interactions

Health Effects / Bioactivities

Not Available

Enzymes

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Name	Gene Name	UniProt ID
6-phosphofructo-2-kinase/fructose-2,6-bisphosphatase 1	PFKFB1	P16118
6-phosphofructo-2-kinase/fructose-2,6-bisphosphatase 2	PFKFB2	O60825
6-phosphofructo-2-kinase/fructose-2,6-bisphosphatase 3	PFKFB3	Q16875
6-phosphofructo-2-kinase/fructose-2,6-bisphosphatase 4	PFKFB4	Q16877
Fructose-1,6-bisphosphatase isozyme 2	FBP2	O00757
Glucokinase	GCK	P35557
Glucose-6-phosphate isomerase	GPI	P06744
Hexokinase-1	HK1	P19367
Hexokinase-2	HK2	P52789
Hexokinase-3	HK3	P52790