Record Information
Version 1.0
Update Date 1/22/2018 12:54:54 PM
Metabolite IDPAMDB120241
Identification
Name: maltoheptaose
Description:A maltoheptaose heptasaccharide in which the glucose residue at the reducing end is in the pyranose ring form and has α configuration at the anomeric carbon atom.
Structure
Thumb
Synonyms:
  • α-D-Glc-(1→4)-α-D-Glc-(1→4)-α-D-Glc-(1→4)-α-D-Glc-(1→4)-α-D-Glc-(1→4)-α-D-Glc-(1→4)-α-D-Glc
  • α-D-Glcp-(1→4)-α-D-Glcp-(1→4)-α-D-Glcp-(1→4)-α-D-Glcp-(1→4)-α-D-Glcp-(1→4)-α-D-Glcp-(1→4)-α-D-Glcp
  • α-D-glucosyl-(1→4)-α-D-glucosyl-(1→4)-α-D-glucosyl-(1→4)-α-D-glucosyl-(1→4)-α-D-glucosyl-(1→4)-α-D-glucosyl-(1→4)-α-D-glucose
  • α-maltoheptaose
Chemical Formula: C42H72O36
Average Molecular Weight: 1153.009
Monoisotopic Molecular Weight: 1152.3804
InChI Key: BNABBHGYYMZMOA-QJBBZCPBSA-N
InChI:InChI=1S/C42H72O36/c43-1-8-15(50)16(51)24(59)37(67-8)74-31-10(3-45)69-39(26(61)18(31)53)76-33-12(5-47)71-41(28(63)20(33)55)78-35-14(7-49)72-42(29(64)22(35)57)77-34-13(6-48)70-40(27(62)21(34)56)75-32-11(4-46)68-38(25(60)19(32)54)73-30-9(2-44)66-36(65)23(58)17(30)52/h8-65H,1-7H2/t8-,9-,10-,11-,12-,13-,14-,15-,16+,17-,18-,19-,20-,21-,22-,23-,24-,25-,26-,27-,28-,29-,30-,31-,32-,33-,34-,35-,36?,37-,38-,39-,40-,41-,42-/m1/s1
CAS number: Not Available
IUPAC Name:α-D-glucopyranosyl-(1→4)-α-D-glucopyranosyl-(1→4)-α-D-glucopyranosyl-(1→4)-α-D-glucopyranosyl-(1→4)-α-D-glucopyranosyl-(1→4)-α-D-glucopyranosyl-(1→4)-α-D-glucopyranose
Traditional IUPAC Name: Not Available
SMILES:C(O)C1(C(O)C(O)C(O)C(O1)OC2(C(O)C(O)C(OC(CO)2)OC3(C(O)C(O)C(OC(CO)3)OC7(C(O)C(O)C(OC6(C(O)C(O)C(OC4(C(O)C(O)C(OC(CO)4)OC5(C(O)C(O)C(O)OC(CO)5)))OC(CO)6))OC(CO)7))))
Chemical Taxonomy
Taxonomy DescriptionThis compound belongs to the class of organic compounds known as oligosaccharides. These are carbohydrates made up of 3 to 10 monosaccharide units linked to each other through glycosidic bonds.
Kingdom Organic compounds
Super ClassOrganic oxygen compounds
Class Organooxygen compounds
Sub ClassCarbohydrates and carbohydrate conjugates
Direct Parent Oligosaccharides
Alternative Parents
Substituents
  • Oligosaccharide
  • O-glycosyl compound
  • Glycosyl compound
  • Oxane
  • Secondary alcohol
  • Hemiacetal
  • Oxacycle
  • Organoheterocyclic compound
  • Polyol
  • Acetal
  • Hydrocarbon derivative
  • Primary alcohol
  • Alcohol
  • Aliphatic heteromonocyclic compound
Molecular Framework Aliphatic heteromonocyclic compounds
External Descriptors
  • an oligosaccharide (CPD0-1133)
Physical Properties
State: Not Available
Charge:0
Melting point: Not Available
Experimental Properties: Not Available
Predicted Properties
PropertyValueSource
Molecular Weight1153.002 g/molPubChem
XLogP3-AA-15.5 PubChem
Hydrogen Bond Donor Count23 PubChem
Hydrogen Bond Acceptor Count36 PubChem
Rotatable Bond Count19 PubChem
Exact Mass1152.38 g/molPubChem
Monoisotopic Mass1152.38 g/molPubChem
Topological Polar Surface Area585 A^2PubChem
Heavy Atom Count78 PubChem
Formal Charge0 PubChem
Complexity1820 PubChem
Isotope Atom Count0 PubChem
Defined Atom Stereocenter Count34 PubChem
Undefined Atom Stereocenter Count1 PubChem
Defined Bond Stereocenter Count0 PubChem
Undefined Bond Stereocenter Count0 PubChem
Covalently-Bonded Unit Count1 PubChem
Biological Properties
Cellular Locations: Not Available
Reactions:
Pathways:
    Spectra
    Spectra: Not Available
    References
    References:
    • van de Weerd R, Berbís MA, Sparrius M, Maaskant JJ, Boot M, Paauw NJ, de Vries N, Boon L, Baba O, Cañada FJ, Geurtsen J, Jiménez-Barbero J, Appelmelk BJ (2015)A murine monoclonal antibody to glycogen: characterization of epitope-fine specificity by saturation transfer difference (STD) NMR spectroscopy and its use in mycobacterial capsular a-glucan research. Chembiochem : a European journal of chemical biology 16, Pubmed: 25766777
    Synthesis Reference: Not Available
    Material Safety Data Sheet (MSDS) Not Available
    External Links:
    ResourceLink
    METABOLIGHTSMTBLC61954
    LIGAND-CPDG00689
    CHEBI61954
    PUBCHEM13908996