sucrose 6F-phosphate (PAMDB120188)

IdentificationTaxonomyPhysical PropertiesBiological PropertiesSpectraConcentrationsLinksReferencesEnzymes Transporters
Proteins (3280)
Record Information
Version 1.0
Update Date 1/22/2018 12:54:54 PM
Metabolite IDPAMDB120188
Identification
Name: sucrose 6F-phosphate
Description:Dianion of sucrose 6F-phosphate arising from deprotonation of the phosphate OH groups; major species at pH 7.3.
Structure
Thumb
🔍MOLSDFPDBSMILESInChIView Structure
Synonyms:
  • sucrose 6F-phosphate
  • sucrose 6F-phosphate dianion
Chemical Formula: C12H21O14P
Average Molecular Weight: 420.263
Monoisotopic Molecular Weight: 422.08255
InChI Key: PJTTXANTBQDXME-UGDNZRGBSA-L
InChI:InChI=1S/C12H23O14P/c13-1-4-6(15)8(17)9(18)11(24-4)26-12(3-14)10(19)7(16)5(25-12)2-23-27(20,21)22/h4-11,13-19H,1-3H2,(H2,20,21,22)/p-2/t4-,5-,6-,7-,8+,9-,10+,11-,12+/m1/s1
CAS number: Not Available
IUPAC Name:6-O-phosphonato-β-D-fructofuranosyl α-D-glucopyranoside
Traditional IUPAC Name: Not Available
SMILES:C(OP(=O)([O-])[O-])C2(OC(CO)(OC1(OC(CO)C(O)C(O)C(O)1))C(O)C(O)2)
Chemical Taxonomy
Taxonomy DescriptionThis compound belongs to the class of organic compounds known as disaccharide phosphates. These are disaccharides carrying one or more phosphate group on a sugar unit.
Kingdom Organic compounds
Super ClassOrganic oxygen compounds
Class Organooxygen compounds
Sub ClassCarbohydrates and carbohydrate conjugates
Direct Parent Disaccharide phosphates
Alternative Parents
Substituents
  • Disaccharide phosphate
  • C-glycosyl compound
  • Glycosyl compound
  • O-glycosyl compound
  • Ketal
  • Organic phosphoric acid derivative
  • Alkyl phosphate
  • Oxane
  • Phosphoric acid ester
  • Tetrahydrofuran
  • Secondary alcohol
  • Acetal
  • Oxacycle
  • Organoheterocyclic compound
  • Polyol
  • Alcohol
  • Hydrocarbon derivative
  • Primary alcohol
  • Organic oxide
  • Organic anion
  • Aliphatic heteromonocyclic compound
Molecular Framework Aliphatic heteromonocyclic compounds
External Descriptors
  • an oligosaccharide phosphate (SUCROSE-6P)
Physical Properties
State: Not Available
Charge:-2
Melting point: Not Available
Experimental Properties: Not Available
Predicted Properties
PropertyValueSource
Molecular Weight420.26 g/molPubChem
XLogP3-5.5 PubChem
Hydrogen Bond Donor Count7 PubChem
Hydrogen Bond Acceptor Count14 PubChem
Rotatable Bond Count6 PubChem
Exact Mass420.067 g/molPubChem
Monoisotopic Mass420.067 g/molPubChem
Topological Polar Surface Area242 A^2PubChem
Heavy Atom Count27 PubChem
Formal Charge-2 PubChem
Complexity531 PubChem
Isotope Atom Count0 PubChem
Defined Atom Stereocenter Count9 PubChem
Undefined Atom Stereocenter Count0 PubChem
Defined Bond Stereocenter Count0 PubChem
Undefined Bond Stereocenter Count0 PubChem
Covalently-Bonded Unit Count1 PubChem
Biological Properties
Cellular Locations: Not Available
Reactions:
sucrose 6F-phosphate + Water → Sucrose + phosphate
UDP-α-D-glucose + β-D-fructofuranose 6-phosphate → sucrose 6F-phosphate + UDP + Hydrogen ion
Pathways:
  • sucrose biosynthesis I (from photosynthesis)SUCSYN-PWY
    Spectra
    Spectra: Not Available
    References
    References:
    Synthesis Reference: Not Available
    Material Safety Data Sheet (MSDS) Not Available
    External Links:
    ResourceLink
    BIGG40149
    CHEBI57723
    PUBCHEM25245080
    LIGAND-CPDC02591