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Acetyl-maltose (M2MDB001593)

Record Information
Version2.0
Creation Date2012-07-30 14:54:47 -0600
Update Date2015-06-03 17:20:50 -0600
Secondary Accession Numbers
  • ECMDB21184
Identification
Name:Acetyl-maltose
DescriptionAcetyl-maltose is a member of the chemical class known as Dihexoses. These are disaccharides containing two hexose carbohydrates.
Structure
Thumb
MOLSDFPDBSMILESInChI
Synonyms:
  • 1-O-Acetyl-4-O-a-D-glucopyranosyl-a-D-glucopyranose
  • 1-O-Acetyl-4-O-alpha-D-glucopyranosyl-alpha-D-glucopyranose
  • 1-O-Acetyl-4-O-α-D-glucopyranosyl-α-D-glucopyranose
  • 6-O-Acetyl-a-D-glucopyranosyl-(1->4)-D-glucose
  • 6-O-Acetyl-alpha-D-glucopyranosyl-(1->4)-D-glucose
  • 6-O-Acetyl-α-D-glucopyranosyl-(1->4)-D-glucose
  • a-D-Glucopyranosyl-(1Right4)-1-O-acetyl-a-D-glucopyranose
  • Acetyl-maltose
  • Alpha-D-Glucopyranosyl-(1right4)-1-O-acetyl-alpha-D-glucopyranose
  • α-D-Glucopyranosyl-(1Right4)-1-O-acetyl-α-D-glucopyranose
Chemical Formula:C14H24O12
Weight:Average: 384.3332
Monoisotopic: 384.126776232
InChI Key:QBQSGZSHVKFNMZ-SASNSOKNSA-N
InChI:InChI=1S/C14H24O12/c1-4(17)23-13-11(22)9(20)12(6(3-16)25-13)26-14-10(21)8(19)7(18)5(2-15)24-14/h5-16,18-22H,2-3H2,1H3/t5-,6-,7-,8+,9-,10-,11-,12-,13+,14-/m1/s1
CAS number:Not Available
IUPAC Name:(2R,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-{[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl acetate
Traditional IUPAC Name:acetyl-maltose
SMILES:[H][C@]1(O)[C@]([H])(O)[C@@]([H])(CO)O[C@]([H])(O[C@@]2([H])[C@]([H])(O)[C@@]([H])(O)[C@@]([H])(OC(C)=O)O[C@]2([H])CO)[C@]1([H])O
Chemical Taxonomy
Description belongs to the class of organic compounds known as o-glycosyl compounds. These are glycoside in which a sugar group is bonded through one carbon to another group via a O-glycosidic bond.
KingdomOrganic compounds
Super ClassOrganic oxygen compounds
ClassOrganooxygen compounds
Sub ClassCarbohydrates and carbohydrate conjugates
Direct ParentO-glycosyl compounds
Alternative Parents
Substituents
  • Disaccharide
  • O-glycosyl compound
  • Oxane
  • Carboxylic acid ester
  • Secondary alcohol
  • Polyol
  • Oxacycle
  • Monocarboxylic acid or derivatives
  • Acetal
  • Carboxylic acid derivative
  • Organoheterocyclic compound
  • Primary alcohol
  • Hydrocarbon derivative
  • Organic oxide
  • Carbonyl group
  • Alcohol
  • Aliphatic heteromonocyclic compound
Molecular FrameworkAliphatic heteromonocyclic compounds
External Descriptors
Physical Properties
State:Not Available
Charge:0
Melting point:Not Available
Experimental Properties:
PropertyValueSource
Predicted Properties
PropertyValueSource
Water Solubility371 g/LALOGPS
logP-2.4ALOGPS
logP-4.3ChemAxon
logS-0.02ALOGPS
pKa (Strongest Acidic)11.93ChemAxon
pKa (Strongest Basic)-3ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count11ChemAxon
Hydrogen Donor Count7ChemAxon
Polar Surface Area195.6 ŲChemAxon
Rotatable Bond Count6ChemAxon
Refractivity77.49 m³·mol⁻¹ChemAxon
Polarizability35.67 ųChemAxon
Number of Rings2ChemAxon
Bioavailability0ChemAxon
Rule of FiveYesChemAxon
Ghose FilterYesChemAxon
Veber's RuleYesChemAxon
MDDR-like RuleYesChemAxon
Biological Properties
Cellular Locations:Cytoplasm
Reactions:
Acetyl-CoA + D-Maltose <> Acetyl-maltose + Coenzyme A
Acetyl-CoA + D-Maltose > CoA + Acetyl-maltose
SMPDB Pathways:Not Available
KEGG Pathways:Not Available
EcoCyc Pathways:Not Available
Concentrations
Not Available
Spectra
Spectra:
Spectrum TypeDescriptionSplash Key
Predicted GC-MSPredicted GC-MS Spectrum - GC-MS (TMS_1_3) - 70eV, PositiveNot AvailableView in JSpectraViewer
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 10V, Positivesplash10-03di-7349000000-60e76e33f721a17230fbView in MoNA
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 20V, Positivesplash10-03di-9472000000-7428d115b2d134840d69View in MoNA
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 40V, Positivesplash10-03di-9720000000-9c36de164027925e4d26View in MoNA
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 10V, Negativesplash10-0a5c-9245000000-a64f5fe3a6fcb6a49abfView in MoNA
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 20V, Negativesplash10-0ab9-9432000000-e61589eb25e03bf9ef3eView in MoNA
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 40V, Negativesplash10-0a4l-9810000000-1e8b2bb001db73cef5e2View in MoNA
MSMass Spectrum (Electron Ionization)Not AvailableView in JSpectraViewer
1D NMR13C NMR SpectrumNot AvailableView in JSpectraViewer
1D NMR1H NMR SpectrumNot AvailableView in JSpectraViewer
1D NMR13C NMR SpectrumNot AvailableView in JSpectraViewer
1D NMR1H NMR SpectrumNot AvailableView in JSpectraViewer
1D NMR13C NMR SpectrumNot AvailableView in JSpectraViewer
1D NMR1H NMR SpectrumNot AvailableView in JSpectraViewer
1D NMR13C NMR SpectrumNot AvailableView in JSpectraViewer
1D NMR1H NMR SpectrumNot AvailableView in JSpectraViewer
1D NMR13C NMR SpectrumNot AvailableView in JSpectraViewer
1D NMR1H NMR SpectrumNot AvailableView in JSpectraViewer
1D NMR13C NMR SpectrumNot AvailableView in JSpectraViewer
1D NMR1H NMR SpectrumNot AvailableView in JSpectraViewer
1D NMR13C NMR SpectrumNot AvailableView in JSpectraViewer
1D NMR1H NMR SpectrumNot AvailableView in JSpectraViewer
1D NMR13C NMR SpectrumNot AvailableView in JSpectraViewer
1D NMR1H NMR SpectrumNot AvailableView in JSpectraViewer
1D NMR13C NMR SpectrumNot AvailableView in JSpectraViewer
1D NMR1H NMR SpectrumNot AvailableView in JSpectraViewer
1D NMR13C NMR SpectrumNot AvailableView in JSpectraViewer
1D NMR1H NMR SpectrumNot AvailableView in JSpectraViewer
References
References:Not Available
Synthesis Reference:Not Available
Material Safety Data Sheet (MSDS)Not Available
External Links:
ResourceLink
CHEBI ID2411
HMDB IDNot Available
Pubchem Compound ID188
Kegg IDC02130
ChemSpider ID9524553
Wikipedia IDNot Available
BioCyc IDACETYLMALTOSE
EcoCyc IDACETYLMALTOSE

Enzymes

Protein Details
1. Maltose O-acetyltransferase
General function:
Involved in transferase activity
Specific function:
Acetylates maltose and other sugars
Gene Name:
maa
Uniprot ID:
P77791
Molecular weight:
20096
Reactions
Acetyl-CoA + maltose = CoA + acetyl-maltose.