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Record Information
Version5.0
StatusDetected but not Quantified
Creation Date2005-11-16 15:48:42 UTC
Update Date2021-09-14 15:40:57 UTC
HMDB IDHMDB0001151
Secondary Accession Numbers
  • HMDB01151
Metabolite Identification
Common NameAllose
DescriptionAllose is an aldohexose sugar. Allose is a C-3 epimer of glucose. D-allose is a rare sugar found in nature and, because of its very limited amount and of the high cost associated with its synthesis, its physiological functions remain virtually unknown (PMID 16080505 ). It is believed to have inhibitory effect on cancer cell proliferation (PMID 16142305 ), protective effects against ischemia reperfusion injury (PMID 14605979 , 16716947 ), immunosuppressant on allogenic orthotopic liver transplantation (PMID 11120048 ), neuroprotective effects against retinal ischemia (PMID 16565406 ), suppress development of salt-induced hypertension (PMID 16148613 ) and an inhibitory effect on human ovarian carcinoma cells (PMID 16080505 ). It is a rare monosaccharide that has been isolated from the leaves of the African shrub Protea rubropilosa. It is soluble in water and practically insoluble in methanol.
Structure
Data?1582752180
Synonyms
ValueSource
WURCS=2.0/1,1,0/[a1111h-1x_1-5]/1/ChEBI
beta-D-AllopyranoseHMDB
beta-D-AlloseHMDB
beta-delta-AllopyranoseHMDB
beta-delta-AlloseHMDB
D-AlloseHMDB
delta-AlloseHMDB
DL-AlloseHMDB
Chemical FormulaC6H12O6
Average Molecular Weight180.1559
Monoisotopic Molecular Weight180.063388116
IUPAC Name(3S,4S,5R,6S)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol
Traditional Name(D)-allose
CAS Registry Number6038-51-3
SMILES
[H][C@@]1(CO)OC(O)[C@@]([H])(O)[C@@]([H])(O)[C@@]1([H])O
InChI Identifier
InChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3-,4-,5-,6?/m0/s1
InChI KeyWQZGKKKJIJFFOK-HOWGCPQDSA-N
Chemical Taxonomy
Description Belongs to the class of organic compounds known as hexoses. These are monosaccharides in which the sugar unit is a is a six-carbon containing moeity.
KingdomOrganic compounds
Super ClassOrganic oxygen compounds
ClassOrganooxygen compounds
Sub ClassCarbohydrates and carbohydrate conjugates
Direct ParentHexoses
Alternative Parents
Substituents
  • Hexose monosaccharide
  • Oxane
  • Secondary alcohol
  • Hemiacetal
  • Oxacycle
  • Organoheterocyclic compound
  • Polyol
  • Hydrocarbon derivative
  • Primary alcohol
  • Alcohol
  • Aliphatic heteromonocyclic compound
Molecular FrameworkAliphatic heteromonocyclic compounds
External Descriptors
Ontology
Disposition

Biological location

Source

Physical Properties
StateSolid
Experimental Molecular Properties
PropertyValueReference
Melting Point128.0 - 128.5 °CNot Available
Boiling PointNot AvailableNot Available
Water SolubilityNot AvailableNot Available
LogPNot AvailableNot Available
Experimental Chromatographic PropertiesNot Available
Predicted Molecular Properties
PropertyValueSource
Water Solubility782 g/LALOGPS
logP-2.6ALOGPS
logP-2.9ChemAxon
logS0.64ALOGPS
pKa (Strongest Acidic)11.3ChemAxon
pKa (Strongest Basic)-3ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count6ChemAxon
Hydrogen Donor Count5ChemAxon
Polar Surface Area110.38 ŲChemAxon
Rotatable Bond Count1ChemAxon
Refractivity35.92 m³·mol⁻¹ChemAxon
Polarizability16.27 ųChemAxon
Number of Rings1ChemAxon
BioavailabilityYesChemAxon
Rule of FiveYesChemAxon
Ghose FilterNoChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon
Predicted Chromatographic Properties

Predicted Collision Cross Sections

PredictorAdduct TypeCCS Value (Å2)Reference
DarkChem[M+H]+140.35631661259
DarkChem[M-H]-134.74631661259
AllCCS[M+H]+140.81432859911
AllCCS[M-H]-131.80932859911
DeepCCS[M+H]+135.5430932474
DeepCCS[M-H]-133.14530932474
DeepCCS[M-2H]-166.95230932474
DeepCCS[M+Na]+142.49630932474
AllCCS[M+H]+140.832859911
AllCCS[M+H-H2O]+136.732859911
AllCCS[M+NH4]+144.732859911
AllCCS[M+Na]+145.832859911
AllCCS[M-H]-131.832859911
AllCCS[M+Na-2H]-132.832859911
AllCCS[M+HCOO]-134.032859911

Predicted Kovats Retention Indices

Underivatized

MetaboliteSMILESKovats RI ValueColumn TypeReference
Allose[H][C@@]1(CO)OC(O)[C@@]([H])(O)[C@@]([H])(O)[C@@]1([H])O3485.8Standard polar33892256
Allose[H][C@@]1(CO)OC(O)[C@@]([H])(O)[C@@]([H])(O)[C@@]1([H])O1813.3Standard non polar33892256
Allose[H][C@@]1(CO)OC(O)[C@@]([H])(O)[C@@]([H])(O)[C@@]1([H])O1593.0Semi standard non polar33892256

Derivatized

Derivative Name / StructureSMILESKovats RI ValueColumn TypeReference
Allose,1TMS,isomer #1C[Si](C)(C)OC[C@@H]1OC(O)[C@@H](O)[C@@H](O)[C@H]1O1741.6Semi standard non polar33892256
Allose,1TMS,isomer #2C[Si](C)(C)OC1O[C@@H](CO)[C@H](O)[C@H](O)[C@@H]1O1730.0Semi standard non polar33892256
Allose,1TMS,isomer #3C[Si](C)(C)O[C@@H]1C(O)O[C@@H](CO)[C@H](O)[C@@H]1O1732.5Semi standard non polar33892256
Allose,1TMS,isomer #4C[Si](C)(C)O[C@@H]1[C@H](O)C(O)O[C@@H](CO)[C@@H]1O1719.7Semi standard non polar33892256
Allose,1TMS,isomer #5C[Si](C)(C)O[C@H]1[C@H](CO)OC(O)[C@@H](O)[C@H]1O1712.9Semi standard non polar33892256
Allose,2TMS,isomer #1C[Si](C)(C)OC[C@@H]1OC(O[Si](C)(C)C)[C@@H](O)[C@@H](O)[C@H]1O1742.5Semi standard non polar33892256
Allose,2TMS,isomer #10C[Si](C)(C)O[C@H]1[C@H](CO)OC(O)[C@@H](O)[C@H]1O[Si](C)(C)C1696.7Semi standard non polar33892256
Allose,2TMS,isomer #2C[Si](C)(C)OC[C@@H]1OC(O)[C@@H](O[Si](C)(C)C)[C@@H](O)[C@H]1O1759.7Semi standard non polar33892256
Allose,2TMS,isomer #3C[Si](C)(C)OC[C@@H]1OC(O)[C@@H](O)[C@@H](O[Si](C)(C)C)[C@H]1O1747.2Semi standard non polar33892256
Allose,2TMS,isomer #4C[Si](C)(C)OC[C@@H]1OC(O)[C@@H](O)[C@@H](O)[C@H]1O[Si](C)(C)C1719.4Semi standard non polar33892256
Allose,2TMS,isomer #5C[Si](C)(C)OC1O[C@@H](CO)[C@H](O[Si](C)(C)C)[C@H](O)[C@@H]1O1734.2Semi standard non polar33892256
Allose,2TMS,isomer #6C[Si](C)(C)OC1O[C@@H](CO)[C@H](O)[C@H](O[Si](C)(C)C)[C@@H]1O1719.1Semi standard non polar33892256
Allose,2TMS,isomer #7C[Si](C)(C)OC1O[C@@H](CO)[C@H](O)[C@H](O)[C@@H]1O[Si](C)(C)C1727.4Semi standard non polar33892256
Allose,2TMS,isomer #8C[Si](C)(C)O[C@@H]1C(O)O[C@@H](CO)[C@H](O[Si](C)(C)C)[C@@H]1O1732.0Semi standard non polar33892256
Allose,2TMS,isomer #9C[Si](C)(C)O[C@@H]1C(O)O[C@@H](CO)[C@H](O)[C@@H]1O[Si](C)(C)C1714.1Semi standard non polar33892256
Allose,3TMS,isomer #1C[Si](C)(C)OC[C@@H]1OC(O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H](O)[C@H]1O1736.6Semi standard non polar33892256
Allose,3TMS,isomer #10C[Si](C)(C)O[C@@H]1C(O)O[C@@H](CO)[C@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C1739.1Semi standard non polar33892256
Allose,3TMS,isomer #2C[Si](C)(C)OC[C@@H]1OC(O[Si](C)(C)C)[C@@H](O)[C@@H](O[Si](C)(C)C)[C@H]1O1760.0Semi standard non polar33892256
Allose,3TMS,isomer #3C[Si](C)(C)OC[C@@H]1OC(O[Si](C)(C)C)[C@@H](O)[C@@H](O)[C@H]1O[Si](C)(C)C1733.8Semi standard non polar33892256
Allose,3TMS,isomer #4C[Si](C)(C)OC[C@@H]1OC(O)[C@@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]1O1755.0Semi standard non polar33892256
Allose,3TMS,isomer #5C[Si](C)(C)OC[C@@H]1OC(O)[C@@H](O[Si](C)(C)C)[C@@H](O)[C@H]1O[Si](C)(C)C1761.4Semi standard non polar33892256
Allose,3TMS,isomer #6C[Si](C)(C)OC[C@@H]1OC(O)[C@@H](O)[C@@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C1712.5Semi standard non polar33892256
Allose,3TMS,isomer #7C[Si](C)(C)OC1O[C@@H](CO)[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H]1O1743.0Semi standard non polar33892256
Allose,3TMS,isomer #8C[Si](C)(C)OC1O[C@@H](CO)[C@H](O[Si](C)(C)C)[C@H](O)[C@@H]1O[Si](C)(C)C1758.0Semi standard non polar33892256
Allose,3TMS,isomer #9C[Si](C)(C)OC1O[C@@H](CO)[C@H](O)[C@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C1751.2Semi standard non polar33892256
Allose,4TMS,isomer #1C[Si](C)(C)OC[C@@H]1OC(O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]1O1835.0Semi standard non polar33892256
Allose,4TMS,isomer #2C[Si](C)(C)OC[C@@H]1OC(O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H](O)[C@H]1O[Si](C)(C)C1846.5Semi standard non polar33892256
Allose,4TMS,isomer #3C[Si](C)(C)OC[C@@H]1OC(O[Si](C)(C)C)[C@@H](O)[C@@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C1821.2Semi standard non polar33892256
Allose,4TMS,isomer #4C[Si](C)(C)OC[C@@H]1OC(O)[C@@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C1823.7Semi standard non polar33892256
Allose,4TMS,isomer #5C[Si](C)(C)OC1O[C@@H](CO)[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C1805.3Semi standard non polar33892256
Allose,5TMS,isomer #1C[Si](C)(C)OC[C@@H]1OC(O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C1901.5Semi standard non polar33892256
Allose,1TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC[C@@H]1OC(O)[C@@H](O)[C@@H](O)[C@H]1O2009.7Semi standard non polar33892256
Allose,1TBDMS,isomer #2CC(C)(C)[Si](C)(C)OC1O[C@@H](CO)[C@H](O)[C@H](O)[C@@H]1O1972.1Semi standard non polar33892256
Allose,1TBDMS,isomer #3CC(C)(C)[Si](C)(C)O[C@@H]1C(O)O[C@@H](CO)[C@H](O)[C@@H]1O1977.9Semi standard non polar33892256
Allose,1TBDMS,isomer #4CC(C)(C)[Si](C)(C)O[C@@H]1[C@H](O)C(O)O[C@@H](CO)[C@@H]1O1970.2Semi standard non polar33892256
Allose,1TBDMS,isomer #5CC(C)(C)[Si](C)(C)O[C@H]1[C@H](CO)OC(O)[C@@H](O)[C@H]1O1963.2Semi standard non polar33892256
Allose,2TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC[C@@H]1OC(O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H](O)[C@H]1O2210.8Semi standard non polar33892256
Allose,2TBDMS,isomer #10CC(C)(C)[Si](C)(C)O[C@H]1[C@H](CO)OC(O)[C@@H](O)[C@H]1O[Si](C)(C)C(C)(C)C2187.0Semi standard non polar33892256
Allose,2TBDMS,isomer #2CC(C)(C)[Si](C)(C)OC[C@@H]1OC(O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H]1O2229.0Semi standard non polar33892256
Allose,2TBDMS,isomer #3CC(C)(C)[Si](C)(C)OC[C@@H]1OC(O)[C@@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1O2219.6Semi standard non polar33892256
Allose,2TBDMS,isomer #4CC(C)(C)[Si](C)(C)OC[C@@H]1OC(O)[C@@H](O)[C@@H](O)[C@H]1O[Si](C)(C)C(C)(C)C2194.3Semi standard non polar33892256
Allose,2TBDMS,isomer #5CC(C)(C)[Si](C)(C)OC1O[C@@H](CO)[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@@H]1O2214.2Semi standard non polar33892256
Allose,2TBDMS,isomer #6CC(C)(C)[Si](C)(C)OC1O[C@@H](CO)[C@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O2201.2Semi standard non polar33892256
Allose,2TBDMS,isomer #7CC(C)(C)[Si](C)(C)OC1O[C@@H](CO)[C@H](O)[C@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C2204.1Semi standard non polar33892256
Allose,2TBDMS,isomer #8CC(C)(C)[Si](C)(C)O[C@@H]1C(O)O[C@@H](CO)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O2208.3Semi standard non polar33892256
Allose,2TBDMS,isomer #9CC(C)(C)[Si](C)(C)O[C@@H]1C(O)O[C@@H](CO)[C@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C2204.8Semi standard non polar33892256
Allose,3TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC[C@@H]1OC(O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H]1O2441.5Semi standard non polar33892256
Allose,3TBDMS,isomer #10CC(C)(C)[Si](C)(C)O[C@@H]1C(O)O[C@@H](CO)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C2467.6Semi standard non polar33892256
Allose,3TBDMS,isomer #2CC(C)(C)[Si](C)(C)OC[C@@H]1OC(O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1O2450.1Semi standard non polar33892256
Allose,3TBDMS,isomer #3CC(C)(C)[Si](C)(C)OC[C@@H]1OC(O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H](O)[C@H]1O[Si](C)(C)C(C)(C)C2440.1Semi standard non polar33892256
Allose,3TBDMS,isomer #4CC(C)(C)[Si](C)(C)OC[C@@H]1OC(O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1O2472.3Semi standard non polar33892256
Allose,3TBDMS,isomer #5CC(C)(C)[Si](C)(C)OC[C@@H]1OC(O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H]1O[Si](C)(C)C(C)(C)C2470.8Semi standard non polar33892256
Allose,3TBDMS,isomer #6CC(C)(C)[Si](C)(C)OC[C@@H]1OC(O)[C@@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1O[Si](C)(C)C(C)(C)C2436.3Semi standard non polar33892256
Allose,3TBDMS,isomer #7CC(C)(C)[Si](C)(C)OC1O[C@@H](CO)[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O2454.9Semi standard non polar33892256
Allose,3TBDMS,isomer #8CC(C)(C)[Si](C)(C)OC1O[C@@H](CO)[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C2464.1Semi standard non polar33892256
Allose,3TBDMS,isomer #9CC(C)(C)[Si](C)(C)OC1O[C@@H](CO)[C@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C2462.8Semi standard non polar33892256
Allose,4TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC[C@@H]1OC(O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1O2676.4Semi standard non polar33892256
Allose,4TBDMS,isomer #2CC(C)(C)[Si](C)(C)OC[C@@H]1OC(O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H]1O[Si](C)(C)C(C)(C)C2680.2Semi standard non polar33892256
Allose,4TBDMS,isomer #3CC(C)(C)[Si](C)(C)OC[C@@H]1OC(O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1O[Si](C)(C)C(C)(C)C2656.7Semi standard non polar33892256
Allose,4TBDMS,isomer #4CC(C)(C)[Si](C)(C)OC[C@@H]1OC(O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1O[Si](C)(C)C(C)(C)C2691.4Semi standard non polar33892256
Allose,4TBDMS,isomer #5CC(C)(C)[Si](C)(C)OC1O[C@@H](CO)[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C2674.9Semi standard non polar33892256
Allose,5TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC[C@@H]1OC(O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1O[Si](C)(C)C(C)(C)C2886.5Semi standard non polar33892256
Spectra

GC-MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted GC-MSPredicted GC-MS Spectrum - Allose GC-MS (Non-derivatized) - 70eV, Positivesplash10-08g0-9700000000-0c1d58a37be53bdad5402017-09-01Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Allose GC-MS (5 TMS) - 70eV, Positivesplash10-004i-6122690000-eaf6f7adf34ccd0c667b2017-10-06Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Allose GC-MS (Non-derivatized) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum

MS/MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Experimental LC-MS/MSLC-MS/MS Spectrum - Allose Quattro_QQQ 10V, Negative-QTOF (Annotated)splash10-00kr-9400000000-b75d88e3b13f8251f30e2012-07-24HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Allose Quattro_QQQ 25V, Negative-QTOF (Annotated)splash10-0a4i-9000000000-b1bddab3816e1286ec8d2012-07-24HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Allose Quattro_QQQ 40V, Negative-QTOF (Annotated)splash10-0a4i-9000000000-e6f172b0f12150f5bb002012-07-24HMDB team, MONAView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Allose 10V, Positive-QTOFsplash10-01q9-0900000000-865ff3c21e042be411942017-09-01Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Allose 20V, Positive-QTOFsplash10-03ea-1900000000-ff3096b7f2c9d1141b1f2017-09-01Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Allose 40V, Positive-QTOFsplash10-0007-9100000000-c4b6f8b4217029a276d92017-09-01Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Allose 10V, Negative-QTOFsplash10-004i-0900000000-01d354be667f71ed78d12017-09-01Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Allose 20V, Negative-QTOFsplash10-01t9-4900000000-e4b00a8035bbe7f7a8992017-09-01Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Allose 40V, Negative-QTOFsplash10-0006-9000000000-19c01224e57df3618fe52017-09-01Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Allose 10V, Negative-QTOFsplash10-004i-1900000000-3a8c197f61db9f8677082021-09-23Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Allose 20V, Negative-QTOFsplash10-056r-9700000000-3438a670a219e810097b2021-09-23Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Allose 40V, Negative-QTOFsplash10-0a4l-9000000000-1def59bcacabecde3f202021-09-23Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Allose 10V, Positive-QTOFsplash10-01qa-0900000000-c96480a7d2f58a7c42d72021-09-25Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Allose 20V, Positive-QTOFsplash10-03dj-9400000000-043eb11900316cc95e582021-09-25Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Allose 40V, Positive-QTOFsplash10-01vn-9000000000-80dd901f98baa92e32b12021-09-25Wishart LabView Spectrum

NMR Spectra

Spectrum TypeDescriptionDeposition DateSourceView
Experimental 1D NMR1H NMR Spectrum (1D, 500 MHz, H2O, experimental)2012-12-04Wishart LabView Spectrum
Experimental 2D NMR[1H, 13C]-HSQC NMR Spectrum (2D, 600 MHz, H2O, experimental)2012-12-05Wishart LabView Spectrum
Biological Properties
Cellular Locations
  • Cytoplasm (predicted from logP)
Biospecimen Locations
  • Urine
Tissue LocationsNot Available
Pathways
Normal Concentrations
BiospecimenStatusValueAgeSexConditionReferenceDetails
UrineDetected but not QuantifiedNot QuantifiedAdult (>18 years old)BothNormal details
Abnormal Concentrations
BiospecimenStatusValueAgeSexConditionReferenceDetails
UrineDetected but not QuantifiedNot QuantifiedAdult (>18 years old)Both
Bladder cancer
details
Associated Disorders and Diseases
Disease ReferencesNone
Associated OMIM IDsNone
DrugBank IDNot Available
Phenol Explorer Compound IDNot Available
FooDB IDFDB022453
KNApSAcK IDC00052802
Chemspider ID13076841
KEGG Compound IDC01487
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkAllose
METLIN ID348
PubChem Compound12285879
PDB IDNot Available
ChEBI ID37741
Food Biomarker OntologyNot Available
VMH IDNot Available
MarkerDB IDNot Available
Good Scents IDNot Available
References
Synthesis ReferenceMenavuvu Buetusiwa Thomas; Poonperm Wayoon; Leang Khim; Noguchi Naoki; Okada Hiromi; Morimoto Kenji; Granstrom Tom Birger; Takada Goro; Izumori Ken Efficient biosynthesis of D-allose from D-psicose by cross-linked recombinant L-rhamnose isomerase: separation of product by ethanol crystallization. Journal of bioscience and bioengineering (2006), 101(4), 340-5.
Material Safety Data Sheet (MSDS)Download (PDF)
General References
  1. Sui L, Dong Y, Watanabe Y, Yamaguchi F, Hatano N, Izumori K, Tokuda M: Growth inhibitory effect of D-allose on human ovarian carcinoma cells in vitro. Anticancer Res. 2005 Jul-Aug;25(4):2639-44. [PubMed:16080505 ]
  2. Sui L, Dong Y, Watanabe Y, Yamaguchi F, Hatano N, Tsukamoto I, Izumori K, Tokuda M: The inhibitory effect and possible mechanisms of D-allose on cancer cell proliferation. Int J Oncol. 2005 Oct;27(4):907-12. [PubMed:16142305 ]
  3. Hossain MA, Izuishi K, Maeta H: Protective effects of D-allose against ischemia reperfusion injury of the rat liver. J Hepatobiliary Pancreat Surg. 2003;10(3):218-25. [PubMed:14605979 ]
  4. Hossain MA, Wakabayashi H, Izuishi K, Okano K, Yachida S, Tokuda M, Izumori K, Maeta H: Improved microcirculatory effect of D-allose on hepatic ischemia reperfusion following partial hepatectomy in cirrhotic rat liver. J Biosci Bioeng. 2006 Apr;101(4):369-71. [PubMed:16716947 ]
  5. Hossain MA, Wakabayashi H, Goda F, Kobayashi S, Maeba T, Maeta H: Effect of the immunosuppressants FK506 and D-allose on allogenic orthotopic liver transplantation in rats. Transplant Proc. 2000 Nov;32(7):2021-3. [PubMed:11120048 ]
  6. Hirooka K, Miyamoto O, Jinming P, Du Y, Itano T, Baba T, Tokuda M, Shiraga F: Neuroprotective effects of D-allose against retinal ischemia-reperfusion injury. Invest Ophthalmol Vis Sci. 2006 Apr;47(4):1653-7. [PubMed:16565406 ]
  7. Kimura S, Zhang GX, Nishiyama A, Nagai Y, Nakagawa T, Miyanaka H, Fujisawa Y, Miyatake A, Nagai T, Tokuda M, Abe Y: D-allose, an all-cis aldo-hexose, suppresses development of salt-induced hypertension in Dahl rats. J Hypertens. 2005 Oct;23(10):1887-94. [PubMed:16148613 ]