D-Mannose (CED0000887)

Record Information
Version1.0
Creation Date2016-05-25 18:08:13 UTC
Update Date2026-05-14 19:27:15 UTC
Accession NumberCHEM021612
Identification
Common NameD-Mannose
ClassSmall Molecule
Description
D-Mannose is an organic compound with the formula C6H12O6 and an average molecular weight of 180.16 g/mol. D-Mannose belongs to the carbohydrates and carbohydrate conjugates, a subclass of organooxygen compounds within the organic compounds. In industrial applications, this compound is utilized as a humectant. D-Mannose is found in or released from 20 recorded sources across several sectors. Within food, food processing, and cookware, it is associated with the preparation of malt, the preparation of vinegar, fermentation processes for beer, molasses and the treatment of molasses, and agglomerated sugar products, among four other sources. In the category of electrical and electronic equipment, it is linked to communication cables or conductors, antennas, radio transmission systems, line transmission systems, and electrically stimulated smoking devices. Regarding household cleaning and consumer products, the compound is found in tobacco product cases, tobacco smoke filters, cigar cigarettes, and bleaching agents. Additionally, it is recorded in building and construction materials, specifically floors and ceilings. In terms of health effects, D-Mannose is associated with colorectal cancer (PMC10026263).
Contaminant TypeNot Available
Chemical Structure
Synonyms
ValueSource
CarubinoseChEBI
MannopyranoseChEBI
SeminoseChEBI
MannoseKegg
D-MannopyranoseKegg
(+)-MannoseHMDB
(+-)-MannoseHMDB
D(+)-MannoseHMDB
DL-MannoseHMDB
MannopyranosideHMDB
D MannoseHMDB
Chemical FormulaC6H12O6
Average Molecular Mass180.156 g/mol
Monoisotopic Mass180.063 g/mol
CAS Registry Number3458-28-4
IUPAC Name(3S,4S,5S,6R)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol
Traditional Nameβ-glucose
SMILESOC[C@H]1OC(O)[C@@H](O)[C@@H](O)[C@@H]1O
InChI IdentifierInChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3-,4+,5+,6?/m1/s1
InChI KeyWQZGKKKJIJFFOK-QTVWNMPRSA-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
Biological Properties
StatusDetected and Not Quantified
OriginNot Available
Cellular LocationsNot Available
Biofluid LocationsNot Available
Tissue LocationsNot Available
ApplicationsNot Available
Biological RolesNot Available
Chemical RolesNot Available
Organoleptic EffectsNot Available
Physical Properties
StateNot Available
AppearanceNot Available
Experimental Properties
PropertyValue
Melting PointNot Available
Boiling PointNot Available
SolubilityNot Available
Predicted 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
Polarizability16.14 ųChemAxon
Number of Rings1ChemAxon
BioavailabilityYesChemAxon
Rule of FiveYesChemAxon
Ghose FilterNoChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon
Spectra
Spectra
Spectrum TypeDescriptionSplash KeyDeposition DateView
GC-MSGC-MS Spectrumsplash10-0mi2-0931000000-96f0cf3c2d4a8bea25b9Not AvailableView Spectrum
GC-MSGC-MS Spectrumsplash10-00kb-1931000000-ec423f92582012821c6aNot AvailableView Spectrum
GC-MSGC-MS Spectrumsplash10-0fr2-1920000000-b6be17dc79a948dfe5faNot AvailableView Spectrum
GC-MSGC-MS Spectrumsplash10-00di-9831000000-409527d22fb759cb628fNot AvailableView Spectrum
GC-MSGC-MS Spectrumsplash10-00di-9621000000-34b421fd962840bfbaecNot AvailableView Spectrum
GC-MSGC-MS Spectrumsplash10-066r-1942000000-1c8164b54d2d16c782c3Not AvailableView Spectrum
GC-MSGC-MS Spectrumsplash10-0ldi-1942000000-c68a088eba727f3a4adaNot AvailableView Spectrum
GC-MSGC-MS Spectrumsplash10-0mi2-0931000000-96f0cf3c2d4a8bea25b9Not AvailableView Spectrum
GC-MSGC-MS Spectrumsplash10-00kb-1931000000-ec423f92582012821c6aNot AvailableView Spectrum
GC-MSGC-MS Spectrumsplash10-0fr2-1920000000-b6be17dc79a948dfe5faNot AvailableView Spectrum
GC-MSGC-MS Spectrumsplash10-00di-9831000000-409527d22fb759cb628fNot AvailableView Spectrum
GC-MSGC-MS Spectrumsplash10-00di-9621000000-34b421fd962840bfbaecNot AvailableView Spectrum
GC-MSGC-MS Spectrumsplash10-066r-1942000000-1c8164b54d2d16c782c3Not AvailableView Spectrum
GC-MSGC-MS Spectrumsplash10-0ldi-1942000000-c68a088eba727f3a4adaNot AvailableView Spectrum
Predicted GC-MSPredicted GC-MS Spectrumsplash10-0np0-9700000000-e8d638dc817e46b97d7bNot AvailableView Spectrum
Predicted GC-MSPredicted GC-MS Spectrumsplash10-004i-6122690000-eaf6f7adf34ccd0c667bNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-01pc-6900000000-0ef33e32ee16b7803f1bNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-00kr-9000000000-27e169c1df0c3ee59806Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-03ea-0900000000-9fb0e8db39598c7a269bNot AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-01q9-0900000000-b0bc47623e7b2ca31c02Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-03ea-3900000000-648e1637af29cf2a3518Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-0007-9200000000-9e6f46a1cbf52d6e347aNot AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-004i-2900000000-a4ec4f0b1e29e360a952Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-01t9-6900000000-7b3ea9c64ecc8d4ac867Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-052f-9100000000-ec2bf4918640a0a36398Not AvailableView Spectrum
Toxicity Profile
Mechanism of ToxicityNot Available
Carcinogenicity (IARC Classification)Not Available
Minimum Risk LevelNot Available
SymptomsNot Available
TreatmentNot Available
Toxicity Values
Toxicity ValueUnitValue RangeOrganismDose DescriptorRoute of ExposurePredicted or ExperimentalReference
6013.0Log mg/kg[3400:11000]RatLD50oralpredictedNot Available
Health Effects
Health EffectRelationshipDirectionReference
colorectal cancerassociated_withNot AvailablePMC10026263
osteosarcomaassociated_withNot AvailablePMC10031984
Exposure Sources
Source IDSourceSectorReference
495CeilingsBuilding & ConstructionNot Available
497FloorsBuilding & ConstructionNot Available
506AntennasElectrical & Electronic EquipmentNot Available
510Communication Cables Or ConductorsElectrical & Electronic EquipmentNot Available
518Electrically Stimulated Smoking DevicesElectrical & Electronic EquipmentNot Available
525Line Transmission SystemsElectrical & Electronic EquipmentNot Available
530Radio Transmission SystemsElectrical & Electronic EquipmentNot Available
541Agglomerated Sugar ProductsFood, food processing & cookwareNot Available
544Fermentation Processes For BeerFood, food processing & cookwareNot Available
546Molasses And Treatment Of MolassesFood, food processing & cookwareNot Available
547Preparation Of MaltFood, food processing & cookwareNot Available
548Preparation Of VinegarFood, food processing & cookwareNot Available
549Preparation Of Wine Or Sparkling WineFood, food processing & cookwareNot Available
550Preparation Of WortFood, food processing & cookwareNot Available
551Processing FishFood, food processing & cookwareNot Available
552Processing MeatsFood, food processing & cookwareNot Available
555Bleaching AgentsHousehold cleaning & consumer productsNot Available
556Cigar CigarettesHousehold cleaning & consumer productsNot Available
567Tobacco Product CasesHousehold cleaning & consumer productsNot Available
569Tobacco Smoke FiltersHousehold cleaning & consumer productsNot Available
578Making CigarsIndustrial manufacturing & chemical processingNot Available
579Manufacture Of Iron Or SteelIndustrial manufacturing & chemical processingNot Available
581Paper Making MachinesIndustrial manufacturing & chemical processingNot Available
584BuoysMarine, shipping & aquacultureNot Available
596AcaricidesAgriculture & land managementNot Available
602MolluscicidesAgriculture & land managementNot Available
603NematocidesAgriculture & land managementNot Available
605Pest RepellantsAgriculture & land managementNot Available
606Plant Growth RegulatorsAgriculture & land managementNot Available
609AftershavePersonal care & cosmeticsNot Available
610Aftersun ProductsPersonal care & cosmeticsNot Available
612Body Washing Or Cleaning ImplementsPersonal care & cosmeticsNot Available
613DepilatoriesPersonal care & cosmeticsNot Available
616Face Mask CosmeticsPersonal care & cosmeticsNot Available
617Lip Care ProductsPersonal care & cosmeticsNot Available
630ToysRecreation & sports surfacesNot Available
642FootwearTextiles, leather & furnishingsNot Available
650Purses Luggage Hand BagsTextiles, leather & furnishingsNot Available
659Transfer PrintingTextiles, leather & furnishingsNot Available
662Yarns Or ThreadsTextiles, leather & furnishingsNot Available
Pathways
8 pathways
Targets
StructureProteinUniProt IDOrganismRelationshipDetails
Click to view 3D structureAdenosine deaminaseP56658Bos taurusPredicted (SEA)22.3427
Adenosine receptor A3 structureClick to view 3D structureAdenosine receptor A3P0DMS8HumansPredicted (SEA)254.567
Click to view 3D structureAdenosine receptor A1P25099Rattus norvegicusPredicted (SEA)157.956
Click to view 3D structureAdenosine receptor A2aP30543Rattus norvegicusPredicted (SEA)146.59
Carbonic anhydrase 9 structureClick to view 3D structureCarbonic anhydrase 9Q16790HumansPredicted (SEA)397.42
Click to view 3D structureAdenosine receptor A3P28647Rattus norvegicusPredicted (SEA)76.4479
Click to view 3D structureAdenosine kinaseA5U4N0Mycobacterium tuberculosis (strain ATCC 25177 / H37Ra)Predicted (SEA)25.7681
Click to view 3D structureLectinB4EH87Burkholderia cenocepacia (strain ATCC BAA-245 / DSM 16553 / LMG 16656/ NCTC 13227 / J2315 / CF5610) (Burkholderia cepacia (strain J2315))Predicted (SEA)0.0778492
Click to view 3D structureType 1 fimbrin D-mannose specific adhesinP08191Escherichia coli K-12Predicted (SEA)0.0778492
Click to view 3D structureLysosomal alpha-glucosidaseQ6P7A9Rattus norvegicusPredicted (SEA)2.49118
Click to view 3D structureNeutral alpha-glucosidase CQ8TET4HumansPredicted (SEA)0.934191
Click to view 3D structureAlpha-galactosidase AD3ZJF9Rattus norvegicusPredicted (SEA)0.934191
Click to view 3D structureOligo-1,6-glucosidase IMA1P53051Saccharomyces cerevisiae S288cPredicted (SEA)1.86838
Click to view 3D structureCytidine deaminaseP56389Mus musculusPredicted (SEA)4.51525
Cytidine deaminase structureClick to view 3D structureCytidine deaminaseP32320HumansPredicted (SEA)1.86838
Click to view 3D structurePA-I galactophilic lectinQ05097Pseudomonas aeruginosa (strain ATCC 15692 / PAO1 / 1C / PRS 101 / LMG12228)Predicted (SEA)0.934191
Maltase-glucoamylase structureClick to view 3D structureMaltase-glucoamylaseO43451HumansPredicted (SEA)3.26967
CD44 antigen structureClick to view 3D structureCD44 antigenP16070HumansPredicted (SEA)1.40129
Click to view 3D structureCD44 antigenP15379Mus musculusPredicted (SEA)1.40129
Solute carrier family 28 member 3 structureClick to view 3D structureSolute carrier family 28 member 3Q9HAS3HumansPredicted (SEA)11.7552
Carbonic anhydrase 12 structureClick to view 3D structureCarbonic anhydrase 12O43570HumansPredicted (SEA)226.93
Click to view 3D structureSucrase-isomaltase, intestinalP23739Rattus norvegicusPredicted (SEA)4.20386
Carbonic anhydrase 7 structureClick to view 3D structureCarbonic anhydrase 7P43166HumansPredicted (SEA)179.209
Carbonic anhydrase 1 structureClick to view 3D structureCarbonic anhydrase 1P00915HumansPredicted (SEA)334.207
Adenosine receptor A1 structureClick to view 3D structureAdenosine receptor A1P30542HumansPredicted (SEA)178.197
Concentrations
Not Available
External Links
DrugBank IDNot Available
HMDB IDHMDB0000169
FooDB IDFDB001202
Phenol Explorer IDNot Available
KNApSAcK IDC00001126
BiGG ID34085
BioCyc IDMANNOSE
METLIN IDNot Available
PDB IDNot Available
Wikipedia LinkMannose
Chemspider ID17893
ChEBI ID4208
PubChem Compound ID18950
Kegg Compound IDC00159
YMDB IDYMDB00894
ECMDB IDECMDB00169
References
Synthesis ReferenceNot Available
MSDSNot Available
General References
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