D-glycero-β-D-manno-heptose 1-phosphate (PAMDB120347)

IdentificationTaxonomyPhysical PropertiesBiological PropertiesSpectraConcentrationsLinksReferencesEnzymes Transporters
Proteins (3280)
Record Information
Version 1.0
Update Date 1/22/2018 11:54:54 AM
Metabolite IDPAMDB120347
Identification
Name: D-glycero-β-D-manno-heptose 1-phosphate
Description:D-glycero-D-manno-heptose 1-phosphate(2−) with β-configuration at the anomeric carbon atom.
Structure
Thumb
🔍MOLSDFPDBSMILESInChIView Structure
Synonyms:
  • D-β-D-heptose-1-phosphate
Chemical Formula: C7H13O10P
Average Molecular Weight: 288.147
Monoisotopic Molecular Weight: 290.04028
InChI Key: KMEJCSKJXSBBAN-QTNLNCNHSA-L
InChI:InChI=1S/C7H15O10P/c8-1-2(9)6-4(11)3(10)5(12)7(16-6)17-18(13,14)15/h2-12H,1H2,(H2,13,14,15)/p-2/t2-,3+,4+,5+,6-,7+/m1/s1
CAS number: Not Available
IUPAC Name:1-O-phosphonato-D-glycero-β-D-manno-heptopyranose
Traditional IUPAC Name: Not Available
SMILES:C(C([CH]1(OC(C(C(C1O)O)O)OP([O-])(=O)[O-]))O)O
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
  • Heptose monosaccharide
  • Monosaccharide phosphate
  • Organic phosphoric acid derivative
  • Oxane
  • Phosphoric acid ester
  • Alkyl phosphate
  • Secondary alcohol
  • Oxacycle
  • Organoheterocyclic compound
  • Polyol
  • Alcohol
  • Hydrocarbon derivative
  • Organic oxide
  • Primary alcohol
  • Organic anion
  • Aliphatic heteromonocyclic compound
Molecular Framework Aliphatic heteromonocyclic compounds
External Descriptors
  • a small molecule (D-BETA-D-HEPTOSE-1-P)
Physical Properties
State: Not Available
Charge:-2
Melting point: Not Available
Experimental Properties: Not Available
Predicted Properties
PropertyValueSource
Molecular Weight288.145 g/molPubChem
XLogP3-AA-4.5 PubChem
Hydrogen Bond Donor Count5 PubChem
Hydrogen Bond Acceptor Count10 PubChem
Rotatable Bond Count3 PubChem
Exact Mass288.025 g/molPubChem
Monoisotopic Mass288.025 g/molPubChem
Topological Polar Surface Area183 A^2PubChem
Heavy Atom Count18 PubChem
Formal Charge-2 PubChem
Complexity306 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:
Hydrogen ion + D-glycero-β-D-manno-heptose 1-phosphate + ATP → ADP-D-glycero-β-D-manno-heptose + diphosphate
D-glycero-β-D-manno-heptose 1,7-bisphosphate + Water → D-glycero-β-D-manno-heptose 1-phosphate + phosphate
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
    BIGG1488063
    CHEBI61593
    PUBCHEM40473183