D-glycero-β-D-manno-heptose 1,7-bisphosphate (PAMDB120109)

IdentificationTaxonomyPhysical PropertiesBiological PropertiesSpectraConcentrationsLinksReferencesEnzymes Transporters
Proteins (3280)
Record Information
Version 1.0
Update Date 1/22/2018 11:54:54 AM
Metabolite IDPAMDB120109
Identification
Name: D-glycero-β-D-manno-heptose 1,7-bisphosphate
Description:D-glycero-D-manno-heptose in which the hydrogens of the hydroxy groups at positions 1 and 7 are substituted by dihydrogen phosphate groups.
Structure
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🔍MOLSDFPDBSMILESInChIView Structure
Synonyms:
  • D-β-D-heptose-1,7-bisphosphateD-glycero-β-D-manno-heptose 1,7-PP
Chemical Formula: C7H12O13P2
Average Molecular Weight: 366.112
Monoisotopic Molecular Weight: 370.00662
InChI Key: LMTGTTLGDUACSJ-QQABCQGCSA-J
InChI:InChI=1S/C7H16O13P2/c8-2(1-18-21(12,13)14)6-4(10)3(9)5(11)7(19-6)20-22(15,16)17/h2-11H,1H2,(H2,12,13,14)(H2,15,16,17)/p-4/t2-,3-,4-,5-,6+,7-/m0/s1
CAS number: Not Available
IUPAC Name:(5R)-5-[(1R)-1-hydroxy-2-(phosphonooxy)ethyl]-1-O-phosphono-D-lyxopyranose
Traditional IUPAC Name: Not Available
SMILES:C(OP([O-])([O-])=O)C(O)C1(C(O)C(O)C(O)C(OP([O-])(=O)[O-])O1)
Chemical Taxonomy
Taxonomy DescriptionThis compound belongs to the class of organic compounds known as monosaccharide phosphates. These are monosaccharides comprising a phosphated group linked to the carbohydrate unit.
Kingdom Organic compounds
Super ClassOrganic oxygen compounds
Class Organooxygen compounds
Sub ClassCarbohydrates and carbohydrate conjugates
Direct Parent Monosaccharide phosphates
Alternative Parents
Substituents
  • Monosaccharide phosphate
  • Alkyl phosphate
  • Phosphoric acid ester
  • Oxane
  • Organic phosphoric acid derivative
  • Secondary alcohol
  • Oxacycle
  • Organoheterocyclic compound
  • Polyol
  • Organic oxide
  • Hydrocarbon derivative
  • Alcohol
  • Organic anion
  • Aliphatic heteromonocyclic compound
Molecular Framework Aliphatic heteromonocyclic compounds
External Descriptors
  • a small molecule (D-BETA-D-HEPTOSE-17-DIPHOSPHATE)
Physical Properties
State: Not Available
Charge:0
Melting point: Not Available
Experimental Properties: Not Available
Predicted Properties
PropertyValueSource
3D Conformer46173363 PubChem
Molecular Weight366.108 g/molPubChem
XLogP3-AA-5.7 PubChem
Hydrogen Bond Donor Count4 PubChem
Hydrogen Bond Acceptor Count13 PubChem
Rotatable Bond Count4 PubChem
Exact Mass365.975 g/molPubChem
Monoisotopic Mass365.975 g/molPubChem
Topological Polar Surface Area235 A^2PubChem
Heavy Atom Count22 PubChem
Formal Charge-4 PubChem
Complexity434 PubChem
Isotope Atom Count0 PubChem
Defined Atom Stereocenter Count6 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:
D-glycero-β-D-manno-heptose 1,7-bisphosphate + Water → D-glycero-β-D-manno-heptose 1-phosphate + phosphate
D-ALPHABETA-D-HEPTOSE-7-PHOSPHATE + ATP → Hydrogen ion + D-glycero-β-D-manno-heptose 1,7-bisphosphate + ADP
Pathways:
  • ADP-L-glycero-β-D-manno-heptose biosynthesisPWY0-1241
    Spectra
    Spectra: Not Available
    References
    References:
    Synthesis Reference: Not Available
    Material Safety Data Sheet (MSDS) Not Available
    External Links:
    ResourceLink
    CHEBI4188
    BIGG1488077
    PUBCHEM46173363
    LIGAND-CPDC11472