Showing Compound Card for Fructose 1-phosphate (CDB005262)

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IdentificationTaxonomyOntologyPhysical propertiesSpectraProtein targetPathwaysConcentrationsLinksReferencesenzymes (4) Show 4 proteinsXML
Record Information
Version1.0
Created at2020-04-17 19:25:34 UTC
Updated at2020-11-18 16:39:37 UTC
CannabisDB IDCDB005262
Secondary Accession NumbersNot Available
Cannabis Compound Identification
Common NameFructose 1-phosphate
DescriptionFructose 1-phosphate, also known as D-fructose-1-p, belongs to the class of organic compounds known as hexose phosphates. These are carbohydrate derivatives containing a hexose substituted by one or more phosphate groups. Fructose 1-phosphate is an extremely weak basic (essentially neutral) compound (based on its pKa). Fructose 1-phosphate exists in all living organisms, ranging from bacteria to humans. Within humans, fructose 1-phosphate participates in a number of enzymatic reactions. In particular, fructose 1-phosphate can be biosynthesized from D-fructose; which is catalyzed by the enzyme ketohexokinase. In addition, fructose 1-phosphate can be converted into dihydroxyacetone phosphate and glyceraldehyde through its interaction with the enzyme fructose-bisphosphate aldolase a. A D-fructofuranose 1-phosphate in which the anomeric centre has beta-configuration. In humans, fructose 1-phosphate is involved in fructose intolerance, hereditary. Outside of the human body, Fructose 1-phosphate has been detected, but not quantified in, milk (cow). This could make fructose 1-phosphate a potential biomarker for the consumption of these foods. Fructose 1-phosphate is expected to be in Cannabis as all living plants are known to produce and metabolize it.
Structure
Thumb
MOLSDFPDBSMILESInChI
Synonyms
ValueSource
beta-D-Fructose 1-phosphateChEBI
b-D-Fructose 1-phosphateGenerator
b-D-Fructose 1-phosphoric acidGenerator
beta-D-Fructose 1-phosphoric acidGenerator
Β-D-fructose 1-phosphateGenerator
Β-D-fructose 1-phosphoric acidGenerator
Fructose 1-phosphoric acidGenerator
D-Fructose 1-phosphateHMDB
D-Fructose-1-pHMDB
D-Fructose-1-phosphateHMDB
Fructose-1-pHMDB
Fructose-1-phosphateHMDB
b-D-Fructofuranose 1-phosphateGenerator
b-D-Fructofuranose 1-phosphoric acidGenerator
beta-D-Fructofuranose 1-phosphoric acidGenerator
Β-D-fructofuranose 1-phosphateGenerator
Β-D-fructofuranose 1-phosphoric acidGenerator
Chemical FormulaC6H13O9P
Average Molecular Weight260.14
Monoisotopic Molecular Weight260.0297
IUPAC Name{[(2R,3S,4S,5R)-2,3,4-trihydroxy-5-(hydroxymethyl)oxolan-2-yl]methoxy}phosphonic acid
Traditional Name[(2R,3S,4S,5R)-2,3,4-trihydroxy-5-(hydroxymethyl)oxolan-2-yl]methoxyphosphonic acid
CAS Registry Number15978-08-2
SMILES
OC[C@H]1O[C@](O)(COP(O)(O)=O)[C@@H](O)[C@@H]1O
InChI Identifier
InChI=1S/C6H13O9P/c7-1-3-4(8)5(9)6(10,15-3)2-14-16(11,12)13/h3-5,7-10H,1-2H2,(H2,11,12,13)/t3-,4-,5+,6-/m1/s1
InChI KeyRHKKZBWRNHGJEZ-ARQDHWQXSA-N
Chemical Taxonomy
Description Belongs to the class of organic compounds known as hexose phosphates. These are carbohydrate derivatives containing a hexose substituted by one or more phosphate groups.
KingdomOrganic compounds
Super ClassOrganic oxygen compounds
ClassOrganooxygen compounds
Sub ClassCarbohydrates and carbohydrate conjugates
Direct ParentHexose phosphates
Alternative Parents
Substituents
  • Hexose phosphate
  • Pentose phosphate
  • Pentose-5-phosphate
  • C-glycosyl compound
  • Glycosyl compound
  • Monosaccharide phosphate
  • Pentose monosaccharide
  • Monoalkyl phosphate
  • Organic phosphoric acid derivative
  • Alkyl phosphate
  • Phosphoric acid ester
  • Tetrahydrofuran
  • Secondary alcohol
  • Hemiacetal
  • Organoheterocyclic compound
  • Oxacycle
  • Polyol
  • Alcohol
  • Hydrocarbon derivative
  • Organic oxide
  • Primary alcohol
  • Aliphatic heteromonocyclic compound
Molecular FrameworkAliphatic heteromonocyclic compounds
External DescriptorsNot Available
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)1.16ChemAxon
pKa (Strongest Basic)-3ChemAxon
Physiological Charge-2ChemAxon
Hydrogen Acceptor Count8ChemAxon
Hydrogen Donor Count6ChemAxon
Polar Surface Area156.91 ŲChemAxon
Rotatable Bond Count4ChemAxon
Refractivity47.23 m³·mol⁻¹ChemAxon
Polarizability21.06 ųChemAxon
Number of Rings1ChemAxon
BioavailabilityYesChemAxon
Rule of FiveNoChemAxon
Ghose FilterNoChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon
Spectra
EI-MS/GC-MS
TypeDescriptionSplash KeyView
Predicted GC-MSFructose 1-phosphate, non-derivatized, Predicted GC-MS Spectrum - 70eV, Positivesplash10-03di-9510000000-71d828159b61f8342118Spectrum
Predicted GC-MSFructose 1-phosphate, 4 TMS, Predicted GC-MS Spectrum - 70eV, Positivesplash10-001i-2912320000-08ffe3d23f5fa5d6162cSpectrum
Predicted GC-MSFructose 1-phosphate, non-derivatized, Predicted GC-MS Spectrum - 70eV, PositiveNot AvailableSpectrum
Predicted GC-MSFructose 1-phosphate, non-derivatized, Predicted GC-MS Spectrum - 70eV, PositiveNot AvailableSpectrum
MS/MS
TypeDescriptionSplash KeyView
Predicted MS/MSPredicted LC-MS/MS Spectrum - 10V, Positivesplash10-03dm-9470000000-18ac582a370338a3f5f12015-09-15View Spectrum
Predicted MS/MSPredicted LC-MS/MS Spectrum - 20V, Positivesplash10-01oy-7390000000-1a5a72af8bb734e50eb82015-09-15View Spectrum
Predicted MS/MSPredicted LC-MS/MS Spectrum - 40V, Positivesplash10-009y-9100000000-4f151f373d7730140f382015-09-15View Spectrum
Predicted MS/MSPredicted LC-MS/MS Spectrum - 10V, Negativesplash10-0a6r-9270000000-5af916340070910082102015-09-15View Spectrum
Predicted MS/MSPredicted LC-MS/MS Spectrum - 20V, Negativesplash10-004i-9000000000-5cf3f457b8c6f6270b682015-09-15View Spectrum
Predicted MS/MSPredicted LC-MS/MS Spectrum - 40V, Negativesplash10-004i-9000000000-4e6feccf18943de8c4192015-09-15View Spectrum
Predicted MS/MSPredicted LC-MS/MS Spectrum - 10V, Negativesplash10-0a4i-1090000000-03030e5df4374fea160c2021-09-21View Spectrum
Predicted MS/MSPredicted LC-MS/MS Spectrum - 20V, Negativesplash10-004j-9140000000-be637d8fd4ff371117c82021-09-21View Spectrum
Predicted MS/MSPredicted LC-MS/MS Spectrum - 40V, Negativesplash10-004i-9010000000-26f483248da003aafbdb2021-09-21View Spectrum
Predicted MS/MSPredicted LC-MS/MS Spectrum - 10V, Positivesplash10-03di-0190000000-6beaa046be46044471be2021-09-25View Spectrum
Predicted MS/MSPredicted LC-MS/MS Spectrum - 20V, Positivesplash10-01p2-6920000000-7fd7dcf4a4f1479d91b12021-09-25View Spectrum
Predicted MS/MSPredicted LC-MS/MS Spectrum - 40V, Positivesplash10-052b-9100000000-60f4d9de70c1b7a7e1de2021-09-25View Spectrum
NMRNot Available
Pathways
Pathways
Protein Targets
Enzymes
Protein NameGene NameLocusUniprot IDDetails
Fructose-bisphosphate aldolase AALDOA16p11.2P04075 details
Fructose-bisphosphate aldolase CALDOC17cen-q12P09972 details
Fructose-bisphosphate aldolase BALDOB9q21.3-q22.2P05062 details
KetohexokinaseKHK2p23.3P50053 details
TransportersNot Available
Metal BindingsNot Available
ReceptorsNot Available
Transcriptional FactorsNot Available
Concentrations Data
Not Available
HMDB IDHMDB0001076
DrugBank IDNot Available
Phenol Explorer Compound IDNot Available
FoodDB IDFDB022410
KNApSAcK IDNot Available
Chemspider ID8575807
KEGG Compound IDC01094
BioCyc IDFRU1P
BiGG ID40936
Wikipedia LinkFructose 1-phosphate
METLIN ID378
PubChem Compound10400369
PDB IDNot Available
ChEBI ID139419
References
General ReferencesNot Available

Enzymes

Enzyme Details
1. Fructose-bisphosphate aldolase A
General function:
Involved in fructose-bisphosphate aldolase activity
Specific function:
Plays a key role in glycolysis and gluconeogenesis. In addition, may also function as scaffolding protein (By similarity).
Gene Name:
ALDOA
Uniprot ID:
P04075
Molecular weight:
39419.675
Enzyme Details
2. Fructose-bisphosphate aldolase C
General function:
Involved in fructose-bisphosphate aldolase activity
Specific function:
Not Available
Gene Name:
ALDOC
Uniprot ID:
P09972
Molecular weight:
39455.505
Enzyme Details
3. Fructose-bisphosphate aldolase B
General function:
Involved in fructose-bisphosphate aldolase activity
Specific function:
Not Available
Gene Name:
ALDOB
Uniprot ID:
P05062
Molecular weight:
39472.715
Enzyme Details
4. Ketohexokinase
General function:
Carbohydrate transport and metabolism
Specific function:
Not Available
Gene Name:
KHK
Uniprot ID:
P50053
Molecular weight:
32730.055