Np mrd loader

Record Information
Version2.0
Created at2024-09-09 23:28:57 UTC
Updated at2024-09-09 23:28:57 UTC
NP-MRD IDNP0334393
Secondary Accession NumbersNone
Natural Product Identification
Common Nameβ-D-glucose 1-phosphate
DescriptionBeta-d-glucose 1-phosphate, also known as 1-O-phosphono-beta-D-glucopyranose or B-D-glucose 1-phosphoric acid, is a member of the class of compounds known as monosaccharide phosphates. Monosaccharide phosphates are monosaccharides comprising a phosphated group linked to the carbohydrate unit. Beta-d-glucose 1-phosphate is soluble (in water) and a moderately acidic compound (based on its pKa). Beta-d-glucose 1-phosphate can be found in a number of food items such as tartary buckwheat, boysenberry, saffron, and cauliflower, which makes beta-d-glucose 1-phosphate a potential biomarker for the consumption of these food products. Beta-d-glucose 1-phosphate may be a unique E.Coli metabolite.
Structure
Thumb
Synonyms
ValueSource
1-O-Phosphono-beta-D-glucopyranoseChEBI
1-Phospho-beta-D-glucopyranoseChEBI
1-O-Phosphono-b-D-glucopyranoseGenerator
1-O-Phosphono-β-D-glucopyranoseGenerator
1-Phospho-b-D-glucopyranoseGenerator
1-Phospho-β-D-glucopyranoseGenerator
b-D-Glucose 1-phosphateGenerator
b-D-Glucose 1-phosphoric acidGenerator
beta-D-Glucose 1-phosphoric acidGenerator
Β-D-glucose 1-phosphateGenerator
Β-D-glucose 1-phosphoric acidGenerator
Glucose-1-phosphate, lead saltMeSH
Glucose-1-phosphate, disodium saltMeSH
Glucose-1-phosphate, disodium salt, (D-GLC)-isomerMeSH
Glucose-1-phosphate, sodium salt, (D-GLC)-isomerMeSH
Glucose-1-phosphateMeSH
Glucose-1-phosphate, (D-GLC)-isomerMeSH
Glucose-1-phosphate, (beta-D-GLC)-isomerMeSH
alpha-Glucose-1-phosphateMeSH
Glucose-1-phosphate, monocalcium saltMeSH
beta-Glucose-1-phosphateMeSH
Glucose-1-phosphate, dipotassium saltMeSH
Glucose-1-phosphate, dipotassium salt, (D-GLC)-isomerMeSH
Dol-P-GLCMeSH
Dolichylglucose phosphateMeSH
Glucosylphosphoryldolicholbeta-D-glucopyranose, 1-ester with dolichol dihydrogen phosphateMeSH
Dolichol monophosphate glucoseMeSH
Dolichol-D-glucosylmonophosphateMeSH
Dolichyl monophosphate glucoseMeSH
GlucosylphosphodolicholMeSH
Chemical FormulaC6H13O9P
Average Mass260.1358 Da
Monoisotopic Mass260.02972 Da
IUPAC Name{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phosphonic acid
Traditional Nameβ-D-glucose 1-phosphate
CAS Registry NumberNot Available
SMILES
[H][C@]1(O)[C@]([H])(O)[C@@]([H])(CO)O[C@@]([H])(OP(O)(O)=O)[C@]1([H])O
InChI Identifier
InChI=1S/C6H13O9P/c7-1-2-3(8)4(9)5(10)6(14-2)15-16(11,12)13/h2-10H,1H2,(H2,11,12,13)/t2-,3-,4+,5-,6+/m1/s1
InChI KeyHXXFSFRBOHSIMQ-DVKNGEFBSA-N
Experimental Spectra
Not Available
Predicted Spectra
Not Available
Chemical Shift Submissions
Not Available
Species
Species of OriginNot Available
Chemical Taxonomy
Description Belongs to the class of organic compounds known as monosaccharide phosphates. These are monosaccharides comprising a phosphated group linked to the carbohydrate unit.
KingdomOrganic compounds
Super ClassOrganic oxygen compounds
ClassOrganooxygen compounds
Sub ClassCarbohydrates and carbohydrate conjugates
Direct ParentMonosaccharide phosphates
Alternative Parents
Substituents
  • Hexose monosaccharide
  • Monosaccharide phosphate
  • Monoalkyl phosphate
  • Organic phosphoric acid derivative
  • Oxane
  • Alkyl phosphate
  • Phosphoric acid ester
  • Secondary alcohol
  • Oxacycle
  • Organoheterocyclic compound
  • Polyol
  • Alcohol
  • Hydrocarbon derivative
  • Primary alcohol
  • Organic oxide
  • Aliphatic heteromonocyclic compound
Molecular FrameworkAliphatic heteromonocyclic compounds
External Descriptors
Physical Properties
StateNot Available
Experimental Properties
PropertyValueReference
Melting PointNot AvailableNot Available
Boiling PointNot AvailableNot Available
Water SolubilityNot AvailableNot Available
LogPNot AvailableNot Available
Predicted Properties
PropertyValueSource
logP-2ALOGPS
logP-3.1ChemAxon
logS-0.91ALOGPS
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 Count3ChemAxon
Refractivity46.8 m³·mol⁻¹ChemAxon
Polarizability20.36 ųChemAxon
Number of Rings1ChemAxon
BioavailabilityYesChemAxon
Rule of FiveNoChemAxon
Ghose FilterNoChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon
HMDB IDNot Available
DrugBank IDNot Available
Phenol Explorer Compound IDNot Available
FoodDB IDFDB031290
KNApSAcK IDC00019553
Chemspider IDNot Available
KEGG Compound IDC00663
BioCyc IDCPD-448
BiGG IDNot Available
Wikipedia LinkGlucose-1-phosphate
METLIN IDNot Available
PubChem Compound122250
PDB IDNot Available
ChEBI ID16218
Good Scents IDNot Available
References
General ReferencesNot Available