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Showing Compound D-Mannose (FDB001202)

Record Information
Version1.0
Creation date2010-04-08 22:04:52 UTC
Update date2019-11-26 02:56:06 UTC
Primary IDFDB001202
Secondary Accession NumbersNot Available
Chemical Information
FooDB NameD-Mannose
DescriptionD-Mannose belongs to the class of organic compounds known as medium-chain aldehydes. These are an aldehyde with a chain length containing between 6 and 12 carbon atoms. D-Mannose is an extremely weak basic (essentially neutral) compound (based on its pKa). D-Mannose is found, on average, in the highest concentration within corns. D-Mannose has also been detected, but not quantified in, several different foods, such as root vegetables, potato, pomes, cocoa beans, and guava. This could make D-mannose a potential biomarker for the consumption of these foods.
CAS Number3458-28-4
Structure
Thumb
MOLSDFPDBSMILESInChI
Synonyms
Predicted Properties
PropertyValueSource
Water Solubility782 g/LALOGPS
logP-2.6ALOGPS
logP-3.6ChemAxon
logS0.64ALOGPS
pKa (Strongest Acidic)12.26ChemAxon
pKa (Strongest Basic)-3ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count6ChemAxon
Hydrogen Donor Count5ChemAxon
Polar Surface Area118.22 ŲChemAxon
Rotatable Bond Count8ChemAxon
Refractivity37.35 m³·mol⁻¹ChemAxon
Polarizability16.24 ųChemAxon
Number of Rings2ChemAxon
BioavailabilityYesChemAxon
Rule of FiveNoChemAxon
Ghose FilterNoChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon
Chemical FormulaC18H36O18
IUPAC name2,3,4,5,6-pentahydroxyhexanal; 5-(1,2-dihydroxyethyl)oxolane-2,3,4-triol; 6-(hydroxymethyl)oxane-2,3,4,5-tetrol
InChI IdentifierInChI=1S/3C6H12O6/c7-1-2(8)5-3(9)4(10)6(11)12-5;7-1-2-3(8)4(9)5(10)6(11)12-2;7-1-3(9)5(11)6(12)4(10)2-8/h2*2-11H,1H2;1,3-6,8-12H,2H2
InChI KeyRSNKOBUPNHZUEV-UHFFFAOYSA-N
Isomeric SMILESOCC(O)C(O)C(O)C(O)C=O.OCC(O)C1OC(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1O
Average Molecular Weight540.4676
Monoisotopic Molecular Weight540.190164348
Classification
Description Belongs to the class of organic compounds known as medium-chain aldehydes. These are an aldehyde with a chain length containing between 6 and 12 carbon atoms.
KingdomOrganic compounds
Super ClassOrganic oxygen compounds
ClassOrganooxygen compounds
Sub ClassCarbonyl compounds
Direct ParentMedium-chain aldehydes
Alternative Parents
Substituents
  • Medium-chain aldehyde
  • Beta-hydroxy aldehyde
  • Monosaccharide
  • Oxane
  • Alpha-hydroxyaldehyde
  • Tetrahydrofuran
  • Hemiacetal
  • Secondary alcohol
  • Oxacycle
  • Organoheterocyclic compound
  • Polyol
  • Alcohol
  • Hydrocarbon derivative
  • Primary alcohol
  • Organic oxide
  • Aliphatic heteromonocyclic compound
Molecular FrameworkNot Available
External DescriptorsNot Available
Ontology
OntologyNo ontology term
Physico-Chemical Properties
Physico-Chemical Properties - Experimental
Spectra
SpectraNot Available
ChemSpider ID17893
ChEMBL IDCHEMBL469448
KEGG Compound IDC00159
Pubchem Compound ID18950
Pubchem Substance IDNot Available
ChEBI ID16024
Phenol-Explorer IDNot Available
DrugBank IDDB02944
HMDB IDHMDB00169
CRC / DFC (Dictionary of Food Compounds) IDBWB50-A:BWB51-B
EAFUS IDNot Available
Dr. Duke IDD-MANNOSE|MANNOSE
BIGG ID34085
KNApSAcK IDNot Available
HET IDNot Available
Food Biomarker OntologyNot Available
VMH IDNot Available
Flavornet IDNot Available
GoodScent IDNot Available
SuperScent IDNot Available
Wikipedia IDD-Mannose
Phenol-Explorer Metabolite IDNot Available
Duplicate IDSNot Available
Old DFC IDSNot Available
Associated Foods
FoodContent Range AverageReference
Processing...
Biological Effects and Interactions
Health Effects / Bioactivities
Enzymes
Pathways
MetabolismNot Available
BiosynthesisNot Available
Organoleptic Properties
FlavoursNot Available
Files
MSDSshow
References
Synthesis ReferenceNot Available
General ReferenceNot Available
Content Reference— Duke, James. 'Dr. Duke's Phytochemical and Ethnobotanical Databases. United States Department of Agriculture.' Agricultural Research Service, Accessed April 27 (2004).