Showing metabocard for Alpha-D-Glucose 1,6-bisphosphate (BMDB0003514)

IdentificationTaxonomyPhysical propertiesPathwaysSpectraConcentrationsLinksReferencesenzymes (1) Show 1 proteinXML
Record Information
Version1.0
Creation Date2016-09-30 23:05:00 UTC
Update Date2020-05-21 16:29:05 UTC
BMDB IDBMDB0003514
Secondary Accession Numbers
  • BMDB03514
Metabolite Identification
Common NameAlpha-D-Glucose 1,6-bisphosphate
DescriptionAlpha-D-Alpha-d-alpha-d-glucose 1,6-bisphosphate, also known as α-Alphalpha-d-alpha-d-glucose 1,6-bisphosphate or alpha-d-glucose 1,6-bisphosphate, 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. Alpha-D-Alpha-d-alpha-d-glucose 1,6-bisphosphate is possibly soluble (in water) and an extremely weak basic (essentially neutral) compound (based on its pKa). Alpha-D-Alpha-d-alpha-d-glucose 1,6-bisphosphate exists in all living species, ranging from bacteria to humans. Alpha-D-Alpha-d-alpha-d-glucose 1,6-bisphosphate and 3-phosphoglyceric acid can be biosynthesized from glucose 1-phosphate and glyceric acid 1,3-biphosphate through the action of the enzyme alpha-d-glucose 1,6-bisphosphate synthase. In cattle, Alpha-Alpha-alphalpha-d-alpha-d-glucose 1,6-bisphosphate is involved in the metabolic pathway called the starch and sucrose metabolism pathway.
Structure
Thumb
MOLSDFPDBSMILESInChI
Synonyms
ValueSource
alpha-D-Glucose 1,6-biphosphateChEBI
D-Glucose 1,6-biphosphateChEBI
D-Glucose 1,6-bisphosphateKegg
a-D-Glucose 1,6-biphosphateGenerator
a-D-Glucose 1,6-biphosphoric acidGenerator
alpha-D-Glucose 1,6-biphosphoric acidGenerator
Α-D-glucose 1,6-biphosphateGenerator
Α-D-glucose 1,6-biphosphoric acidGenerator
D-Glucose 1,6-biphosphoric acidGenerator
D-Glucose 1,6-bisphosphoric acidGenerator
a-D-Glucose 1,6-bisphosphateGenerator
a-D-Glucose 1,6-bisphosphoric acidGenerator
alpha-D-Glucose 1,6-bisphosphoric acidGenerator
Α-D-glucose 1,6-bisphosphateGenerator
Α-D-glucose 1,6-bisphosphoric acidGenerator
a-D-Glucose 1,6-bis(dihydrogen phosphate)HMDB
a-D-Glucose 1,6-diphosphateHMDB
alpha-D-1,6-Bis(dihydrogen phosphate) glucopyranoseHMDB
alpha-D-Glucose 1,6-bis(dihydrogen phosphate)HMDB
alpha-D-Glucose 1,6-diphosphateHMDB
alpha-delta-1,6-Bis(dihydrogen phosphate) glucopyranoseHMDB
alpha-delta-Glucose 1,6-bis(dihydrogen phosphate)HMDB
alpha-delta-Glucose 1,6-bisphosphateHMDB
alpha-delta-Glucose 1,6-diphosphateHMDB
D-Glucose 1,6-diphosphateHMDB
delta-Glucose 1,6-diphosphateHMDB
Glucose 1,6-bisphosphateHMDB
Glucose 1,6-diphosphateHMDB
beta-D-Glucose 1,6-(bis)phosphateHMDB
Glucose-1,6-diphosphateHMDB
Glucose-1,6-bisphosphateHMDB
alpha-Glucose 1,6-diphosphateHMDB
Α-D-glucose 1,6-diphosphateHMDB
Α-glucose 1,6-diphosphateHMDB
alpha-D-Glucose 1,6-bisphosphateHMDB
Chemical FormulaC6H14O12P2
Average Molecular Weight340.1157
Monoisotopic Molecular Weight339.996048936
IUPAC Name{[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[(phosphonooxy)methyl]oxan-2-yl]oxy}phosphonic acid
Traditional Name[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[(phosphonooxy)methyl]oxan-2-yl]oxyphosphonic acid
CAS Registry Number10139-18-1
SMILES
O[C@H]1[C@H](O)[C@@H](COP(O)(O)=O)O[C@H](OP(O)(O)=O)[C@@H]1O
InChI Identifier
InChI=1S/C6H14O12P2/c7-3-2(1-16-19(10,11)12)17-6(5(9)4(3)8)18-20(13,14)15/h2-9H,1H2,(H2,10,11,12)(H2,13,14,15)/t2-,3-,4+,5-,6-/m1/s1
InChI KeyRWHOZGRAXYWRNX-VFUOTHLCSA-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
  • Monosaccharide phosphate
  • Monoalkyl phosphate
  • Alkyl phosphate
  • Phosphoric acid ester
  • Oxane
  • Organic phosphoric acid derivative
  • Secondary alcohol
  • Oxacycle
  • Organoheterocyclic compound
  • Polyol
  • Organic oxide
  • Hydrocarbon derivative
  • Alcohol
  • Aliphatic heteromonocyclic compound
Molecular FrameworkAliphatic heteromonocyclic compounds
External Descriptors
Ontology
StatusExpected but not Quantified
Origin
  • Endogenous
BiofunctionNot Available
ApplicationNot Available
Cellular locationsNot Available
Physical Properties
StateSolid
Experimental Properties
PropertyValueReference
Melting PointNot AvailableNot Available
Boiling PointNot AvailableNot Available
Water SolubilityNot AvailableNot Available
LogP-4.374Not Available
Predicted Properties
PropertyValueSource
logP-1.6ALOGPS
logP-3.2ChemAxon
logS-1.3ALOGPS
pKa (Strongest Acidic)0.89ChemAxon
pKa (Strongest Basic)-3.6ChemAxon
Physiological Charge-4ChemAxon
Hydrogen Acceptor Count10ChemAxon
Hydrogen Donor Count7ChemAxon
Polar Surface Area203.44 ŲChemAxon
Rotatable Bond Count5ChemAxon
Refractivity57.67 m³·mol⁻¹ChemAxon
Polarizability24.96 ųChemAxon
Number of Rings1ChemAxon
BioavailabilityYesChemAxon
Rule of FiveYesChemAxon
Ghose FilterYesChemAxon
Veber's RuleYesChemAxon
MDDR-like RuleYesChemAxon
Spectra
Spectra
Biological Properties
Cellular LocationsNot Available
Biospecimen Locations
  • Placenta
Pathways
Normal Concentrations
BiospecimenStatusValueAgeSexConditionReferenceDetails
PlacentaExpected but not QuantifiedNot QuantifiedNot SpecifiedNot SpecifiedNormal
  • Not Applicable
 details
Abnormal Concentrations
Not Available
HMDB IDHMDB0003514
DrugBank IDDB02835
Phenol Explorer Compound IDNot Available
FooDB IDFDB023185
KNApSAcK IDNot Available
Chemspider ID74362
KEGG Compound IDC01231
BioCyc IDALPHA-GLUCOSE-16-BISPHOSPHATE
BiGG IDNot Available
Wikipedia LinkNot Available
METLIN IDNot Available
PubChem Compound82400
PDB IDNot Available
ChEBI ID18148
References
Synthesis ReferenceNot Available
Material Safety Data Sheet (MSDS)Not Available
General ReferencesNot Available

Enzymes

Enzyme Details
1. PGM2L1 protein
General function:
Not Available
Specific function:
Not Available
Gene Name:
PGM2L1
Uniprot ID:
A5PKH8
Molecular weight:
70419.0
Reactions
Glucose 1-phosphate + Glyceric acid 1,3-biphosphate → Alpha-D-Glucose 1,6-bisphosphate + 3-Phosphoglyceric aciddetails