Showing Compound Card for β-D-Fructose 6-phosphate (CDB005254)

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IdentificationTaxonomyOntologyPhysical propertiesSpectraProtein targetPathwaysConcentrationsLinksReferencesenzymes (21) Show 29 proteinsXML
Record Information
Version1.0
Created at2020-04-17 19:24:45 UTC
Updated at2020-11-18 16:39:37 UTC
CannabisDB IDCDB005254
Secondary Accession NumbersNot Available
Cannabis Compound Identification
Common Nameβ-D-Fructose 6-phosphate
DescriptionBeta-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. β-D-Fructose 6-phosphate is expected to be in Cannabis as all living plants are known to produce and metabolize it.
Structure
Thumb
MOLSDFPDBSMILESInChI
Synonyms
ValueSource
6-O-Phosphono-beta-D-fructofuranoseChEBI
FRUCTOSE-6-phosphATEChEBI
6-O-Phosphono-b-D-fructofuranoseGenerator
6-O-Phosphono-β-D-fructofuranoseGenerator
FRUCTOSE-6-phosphoric acidGenerator
b-D-Fructose 6-phosphateGenerator
b-D-Fructose 6-phosphoric acidGenerator
beta-D-Fructose 6-phosphoric acidGenerator
Β-D-fructose 6-phosphateGenerator
Β-D-fructose 6-phosphoric acidGenerator
Chemical FormulaC6H13O9P
Average Molecular Weight260.14
Monoisotopic Molecular Weight260.0297
IUPAC Name{[(2R,3S,4S,5R)-3,4,5-trihydroxy-5-(hydroxymethyl)oxolan-2-yl]methoxy}phosphonic acid
Traditional Nameβ-D-fructofuranose 6-phosphate
CAS Registry NumberNot Available
SMILES
OC[C@@]1(O)O[C@H](COP(O)(O)=O)[C@@H](O)[C@@H]1O
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 KeyBGWGXPAPYGQALX-ARQDHWQXSA-N
Chemical Taxonomy
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.
KingdomOrganic compounds
Super ClassOrganic oxygen compounds
ClassOrganooxygen compounds
Sub ClassCarbohydrates and carbohydrate conjugates
Direct ParentPentose 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 FrameworkAliphatic heteromonocyclic compounds
External Descriptors
Ontology
Disposition

Source:

Biological location:

Physical Properties
StateSolid
Experimental Properties
PropertyValueReference
Melting PointNot AvailableNot Available
Boiling PointNot AvailableNot Available
Water SolubilityNot AvailableNot Available
logPNot AvailableNot Available
Predicted Properties
PropertyValueSource
logP-2.1ALOGPS
logP-2.9ChemAxon
logS-0.89ALOGPS
pKa (Strongest Acidic)1.22ChemAxon
pKa (Strongest Basic)-3.5ChemAxon
Physiological Charge-2ChemAxon
Hydrogen Acceptor Count8ChemAxon
Hydrogen Donor Count6ChemAxon
Polar Surface Area156.91 ŲChemAxon
Rotatable Bond Count4ChemAxon
Refractivity47.23 m³·mol⁻¹ChemAxon
Polarizability20.92 ųChemAxon
Number of Rings1ChemAxon
BioavailabilityYesChemAxon
Rule of FiveNoChemAxon
Ghose FilterNoChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon
Spectra
EI-MS/GC-MS
TypeDescriptionSplash KeyView
GC-MSβ-D-Fructose 6-phosphate, non-derivatized, GC-MS Spectrumsplash10-00di-9422000000-bee9b5c8192cd70afd4bSpectrum
GC-MSβ-D-Fructose 6-phosphate, non-derivatized, GC-MS Spectrumsplash10-00di-9422000000-bee9b5c8192cd70afd4bSpectrum
Predicted GC-MSβ-D-Fructose 6-phosphate, non-derivatized, Predicted GC-MS Spectrum - 70eV, Positivesplash10-0005-9330000000-5c27e76b48f712dafdf1Spectrum
Predicted GC-MSβ-D-Fructose 6-phosphate, 4 TMS, Predicted GC-MS Spectrum - 70eV, Positivesplash10-0540-8097650000-bd7cf45abb555a5c08daSpectrum
Predicted GC-MSβ-D-Fructose 6-phosphate, non-derivatized, Predicted GC-MS Spectrum - 70eV, PositiveNot AvailableSpectrum
MS/MS
TypeDescriptionSplash KeyView
MS/MSLC-MS/MS Spectrum - LC-ESI-ITFT , negativesplash10-0002-9200000000-890d2bc5c099d333bb872017-09-14View Spectrum
MS/MSLC-MS/MS Spectrum - LC-ESI-ITFT , negativesplash10-0a4i-0090000000-9e5a9a987b6541abb2c72017-09-14View Spectrum
MS/MSLC-MS/MS Spectrum - LC-ESI-ITFT , negativesplash10-0ab9-0000509000-ba24f5137a9692d147ab2017-09-14View Spectrum
Predicted MS/MSPredicted LC-MS/MS Spectrum - 10V, Positivesplash10-03di-2980000000-6b021fc643037857d79c2015-09-14View Spectrum
Predicted MS/MSPredicted LC-MS/MS Spectrum - 20V, Positivesplash10-03dj-6950000000-9aeea6f58646b1ddfd2d2015-09-14View Spectrum
Predicted MS/MSPredicted LC-MS/MS Spectrum - 40V, Positivesplash10-00ds-9300000000-163fede30ff57a7573562015-09-14View Spectrum
Predicted MS/MSPredicted LC-MS/MS Spectrum - 10V, Negativesplash10-0a6r-7390000000-3b9471399e651e34edcb2015-09-15View Spectrum
Predicted MS/MSPredicted LC-MS/MS Spectrum - 20V, Negativesplash10-004i-9000000000-107d49541ec3b4b1213f2015-09-15View Spectrum
Predicted MS/MSPredicted LC-MS/MS Spectrum - 40V, Negativesplash10-004i-9000000000-9182363b16cd6b3e720b2015-09-15View Spectrum
Predicted MS/MSPredicted LC-MS/MS Spectrum - 10V, Negativesplash10-0a4i-3090000000-7ae40fd439a28bd2393e2021-09-22View Spectrum
Predicted MS/MSPredicted LC-MS/MS Spectrum - 20V, Negativesplash10-004i-9010000000-53fac253975be4bb66f72021-09-22View Spectrum
Predicted MS/MSPredicted LC-MS/MS Spectrum - 40V, Negativesplash10-004i-9000000000-a5e502a2627af2048a1f2021-09-22View Spectrum
Predicted MS/MSPredicted LC-MS/MS Spectrum - 10V, Positivesplash10-03dj-1790000000-cf4773c8e21b0c55570e2021-09-23View Spectrum
Predicted MS/MSPredicted LC-MS/MS Spectrum - 20V, Positivesplash10-0002-9810000000-21980e2a6a612b295b9d2021-09-23View Spectrum
Predicted MS/MSPredicted LC-MS/MS Spectrum - 40V, Positivesplash10-000t-9000000000-a08dc200cb22f420d5bc2021-09-23View Spectrum
NMRNot Available
Pathways
Pathways
Protein Targets
Enzymes
Protein NameGene NameLocusUniprot IDDetails
GlucokinaseGCK7p15.3-p15.1P35557 details
Hexokinase-3HK35q35.2P52790 details
Hexokinase-2HK22p13P52789 details
Hexokinase-1HK110q22P19367 details
6-phosphofructokinase type CPFKP10p15.3-p15.2Q01813 details
6-phosphofructokinase, liver typePFKL21q22.3P17858 details
6-phosphofructokinase, muscle typePFKM12q13.3P08237 details
6-phosphofructo-2-kinase/fructose-2,6-bisphosphatase 3PFKFB310p15.1Q16875 details
Mannose-6-phosphate isomeraseMPI15q22-qterP34949 details
6-phosphofructo-2-kinase/fructose-2,6-bisphosphatase 4PFKFB43p22-p21Q16877 details
6-phosphofructo-2-kinase/fructose-2,6-bisphosphatase 1PFKFB1Xp11.21P16118 details
Transketolase-like protein 1TKTL1Xq28P51854 details
Fructose-1,6-bisphosphatase isozyme 2FBP29q22.3O00757 details
TransaldolaseTALDO111p15.5-p15.4P37837 details
Fructose-1,6-bisphosphatase 1FBP19q22.3P09467 details
6-phosphofructo-2-kinase/fructose-2,6-bisphosphatase 2PFKFB21q31O60825 details
TransketolaseTKT3p14.3P29401 details
Glucose-6-phosphate isomeraseGPI19q13.1P06744 details
Transketolase-like protein 2TKTL24q32.2Q9H0I9 details
Putative hexokinase HKDC1HKDC110q22.1Q2TB90 details
Fructose-2,6-bisphosphatase TIGARTIGAR12p13.3Q9NQ88 details
TransportersNot Available
Metal Bindings
Protein NameGene NameLocusUniprot IDDetails
6-phosphofructokinase type CPFKP10p15.3-p15.2Q01813 details
6-phosphofructokinase, liver typePFKL21q22.3P17858 details
6-phosphofructokinase, muscle typePFKM12q13.3P08237 details
Mannose-6-phosphate isomeraseMPI15q22-qterP34949 details
Transketolase-like protein 1TKTL1Xq28P51854 details
Fructose-1,6-bisphosphatase isozyme 2FBP29q22.3O00757 details
Fructose-1,6-bisphosphatase 1FBP19q22.3P09467 details
Transketolase-like protein 2TKTL24q32.2Q9H0I9 details
ReceptorsNot Available
Transcriptional FactorsNot Available
Concentrations Data
Not Available
HMDB IDHMDB0003971
DrugBank IDNot Available
Phenol Explorer Compound IDNot Available
FoodDB IDFDB023276
KNApSAcK IDC00019548
Chemspider ID389526
KEGG Compound IDC05345
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkFructose_6-phosphate
METLIN IDNot Available
PubChem Compound440641
PDB IDNot Available
ChEBI ID16084
References
General ReferencesNot Available

Only showing the first 10 proteins. There are 29 proteins in total.

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Enzymes

Enzyme Details
1. Glucokinase
General function:
Involved in ATP binding
Specific function:
Catalyzes the initial step in utilization of glucose by the beta-cell and liver at physiological glucose concentration. Glucokinase has a high Km for glucose, and so it is effective only when glucose is abundant. The role of GCK is to provide G6P for the synthesis of glycogen. Pancreatic glucokinase plays an important role in modulating insulin secretion. Hepatic glucokinase helps to facilitate the uptake and conversion of glucose by acting as an insulin-sensitive determinant of hepatic glucose usage.
Gene Name:
GCK
Uniprot ID:
P35557
Molecular weight:
52191.07
Enzyme Details
2. Hexokinase-3
General function:
Involved in ATP binding
Specific function:
Not Available
Gene Name:
HK3
Uniprot ID:
P52790
Molecular weight:
99024.56
Enzyme Details
3. Hexokinase-2
General function:
Involved in ATP binding
Specific function:
Not Available
Gene Name:
HK2
Uniprot ID:
P52789
Molecular weight:
102379.06
Enzyme Details
4. Hexokinase-1
General function:
Involved in ATP binding
Specific function:
Not Available
Gene Name:
HK1
Uniprot ID:
P19367
Molecular weight:
102485.1
Enzyme Details
5. 6-phosphofructokinase type C
General function:
Involved in 6-phosphofructokinase activity
Specific function:
Catalyzes the third step of glycolysis, the phosphorylation of fructose-6-phosphate (F6P) by ATP to generate fructose-1,6-bisphosphate (FBP) and ADP.
Gene Name:
PFKP
Uniprot ID:
Q01813
Molecular weight:
85595.405
Enzyme Details
6. 6-phosphofructokinase, liver type
General function:
Involved in 6-phosphofructokinase activity
Specific function:
Catalyzes the third step of glycolysis, the phosphorylation of fructose-6-phosphate (F6P) by ATP to generate fructose-1,6-bisphosphate (FBP) and ADP.
Gene Name:
PFKL
Uniprot ID:
P17858
Molecular weight:
85017.825
Enzyme Details
7. 6-phosphofructokinase, muscle type
General function:
Involved in 6-phosphofructokinase activity
Specific function:
Catalyzes the third step of glycolysis, the phosphorylation of fructose-6-phosphate (F6P) by ATP to generate fructose-1,6-bisphosphate (FBP) and ADP.
Gene Name:
PFKM
Uniprot ID:
P08237
Molecular weight:
85181.925
Enzyme Details
8. 6-phosphofructo-2-kinase/fructose-2,6-bisphosphatase 3
General function:
Involved in catalytic activity
Specific function:
Synthesis and degradation of fructose 2,6-bisphosphate.
Gene Name:
PFKFB3
Uniprot ID:
Q16875
Molecular weight:
57286.965
Enzyme Details
9. Mannose-6-phosphate isomerase
General function:
Involved in mannose-6-phosphate isomerase activity
Specific function:
Involved in the synthesis of the GDP-mannose and dolichol-phosphate-mannose required for a number of critical mannosyl transfer reactions.
Gene Name:
MPI
Uniprot ID:
P34949
Molecular weight:
46655.44
Enzyme Details
10. 6-phosphofructo-2-kinase/fructose-2,6-bisphosphatase 4
General function:
Involved in catalytic activity
Specific function:
Synthesis and degradation of fructose 2,6-bisphosphate.
Gene Name:
PFKFB4
Uniprot ID:
Q16877
Molecular weight:
54039.34

Only showing the first 10 proteins. There are 29 proteins in total.

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