(2r,3s,4s,5r,6s)-2-(hydroxymethyl)-6-[4-(hydroxymethyl)phenoxy]oxane-3,4,5-triol (CED0035977)

Record Information
Version1.0
Creation Date2026-08-19 01:34:03 UTC
Update Date2026-08-19 01:34:03 UTC
SynCED IDCED0035977
Secondary Accession Numbers
  • CHEM174079
Identification
Common Name(2r,3s,4s,5r,6s)-2-(hydroxymethyl)-6-[4-(hydroxymethyl)phenoxy]oxane-3,4,5-triol
ClassSmall Molecule
Description
(2r,3s,4s,5r,6s)-2-(hydroxymethyl)-6-[4-(hydroxymethyl)phenoxy]oxane-3,4,5-triol belongs to the carbohydrates and carbohydrate conjugates, a subclass of organooxygen compounds within the organic compounds. This organic oxygen compound has the chemical formula C13H18O7 and an average molecular weight of 286.28 g/mol. The compound is found in or released from two recorded sources, which include food, food processing, and cookware, specifically in the processing of meats and the preparation of vinegar. Regarding its health effects, this substance is used as a treatment for dementia (PMC7690157 ), dizziness (PMC7690157 ), epilepsy (PMC7690157 ), and ischemic stroke (PMC7690157 ).
Contaminant TypeNot Available
Chemical Structure
SynonymsNot Available
Chemical FormulaC13H18O7
Average Molecular Mass286.280 g/mol
Monoisotopic Mass286.105 g/mol
CAS Registry Number62499-27-8
IUPAC NameNot Available
Traditional NameNot Available
SMILESNot Available
InChI IdentifierInChI=1S/C13H18O7/c14-5-7-1-3-8(4-2-7)19-13-12(18)11(17)10(16)9(6-15)20-13/h1-4,9-18H,5-6H2/t9-,10-,11+,12-,13-/m1/s1
InChI KeyPUQSUZTXKPLAPR-UJPOAAIJSA-N
Chemical Taxonomy
ClassificationNot classified
Biological Properties
StatusDetected and Not Quantified
OriginNot Available
Cellular LocationsNot Available
Biofluid LocationsNot Available
Tissue LocationsNot Available
ApplicationsNot Available
Biological Roles
Chemical RolesNot Available
Organoleptic EffectsNot Available
Physical Properties
StateNot Available
AppearanceNot Available
Experimental Properties
PropertyValue
Melting PointNot Available
Boiling PointNot Available
SolubilityNot Available
Predicted PropertiesNot Available
Spectra
SpectraNot Available
Toxicity Profile
Toxicity Values
Toxicity ValueOrganismDose DescriptorRoute of ExposurePredicted or ExperimentalToxicity RatingReference
3300.0 Log mg/kg [1900:5900]RatLD50oralpredictedNot AvailableNot Available
Toxicity / Toxin ClassNot Available
Mechanism of ToxicityNot Available
Carcinogenicity (IARC Classification)Not Available
Minimum Risk LevelNot Available
SymptomsNot Available
TreatmentNot Available
Health Effects
Health EffectRelationshipDirectionDescriptionReference
cancerAssociated With?Not AvailableCancer is a group of diseases involving abnormal cell growth with the potential to invade or spread to other parts of the body. Possible signs and symptoms include a lump, abnormal bleeding, prolonged cough, unexplained weight loss, and a change in bowel movements. There are over 100 types of cancers affect humans. The risk of developing certain cancers can be reduced by not smoking, maintaining a healthy weight, not drinking too much alcohol, eating plenty of vegetables, fruits and whole grains, vaccination against certain infectious diseases, not eating too much processed and red meat and avoiding too much sunlight exposure. Cancer is often treated with some combination of radiation therapy, surgery, chemotherapy and targeted therapy. The majority of cancers, some 90–95% of cases, are due to genetic mutations from environmental and lifestyle factors. The remaining 5–10% are due to inherited genetics.PMC13472360
dizzinessNot AvailableNot AvailableA sensation of lightheadedness, unsteadiness, turning, spinning or rocking.PMC7690157
dementiaNot AvailableNot AvailableA cognitive disorder resulting from a loss of brain function affecting memory, thinking, language, judgement and behavior. (DO)PMC7690157
ischemic strokeNot AvailableNot AvailableNot AvailablePMC7690157 , PMC12323178
epilepsyNot AvailableNot AvailableA brain disease that is characterized by the occurrance of at least two unprovoked seizures resulting from a persistent epileptogenic abnormality of the brain that is able to spontaneously generate paroxysmal activity and typically manifested by sudden brief episodes of altered or diminished consciousness, involuntary movements, or convulsions. (DO)PMC7690157
hepatic fibrosisHas Therapeutic Effect OnNot AvailableNot AvailablePMC8810172
vertebrobasilar insufficiencyNot AvailableNot AvailableNot AvailablePMC9495708
vascular dementiaHas Therapeutic Effect OnNot AvailableNot AvailablePMC11806845
Oxidative StressHas Therapeutic Effect OnNot AvailableNot AvailablePMC8810172
cardiovascular disorderAssociated With?Not AvailableNot AvailablePMC13472360
nervous system disorderHas Therapeutic Effect OnNot AvailableNot AvailablePMC12869260
depressive disorderNot AvailableNot AvailableNot AvailablePMC12869260
NeurodegenerationHas Therapeutic Effect OnNot AvailableNot AvailablePMC8535739
spinal cord injuryNot AvailableNot AvailableNot AvailablePMC12466678
nervous system diseaseNot AvailableNot AvailableNot AvailablePMC7690157
Occupational DiseasesAssociated With?Not AvailableNot AvailablePMC4596077
Exposure Sources
Source IDSourceSectorReference
CEDs000013Soil?Soil serves as a critical medium for plant growth and sustains various ecological functions; however, it can become a reservoir for synthetic chemical contamination.Agriculture & land managementPMC13375326 , PMC12744683
CEDs000050Groundwater?Groundwater serves as a vital resource for drinking water and agricultural irrigation but is increasingly susceptible to contamination from synthetic chemicals.Aquatic systems & sedimentsPMC8035386 , PMC7256513
CEDs000051Surface water?Surface water can serve as a significant vector for the introduction of synthetic chemical contaminants into aquatic ecosystems.Aquatic systems & sedimentsPMC11088546
CEDs000115Drinking water?Drinking water can be a medium for synthetic chemical contamination, often originating from various industrial processes and agricultural practices.Drinking water & water supplyPMC7256513
CEDs000479Effluent?Effluent refers to liquid waste or sewage that is discharged into the environment, typically resulting from industrial processes, municipal wastewater treatment, or agricultural runoff.Wastewater, sanitation & biosolidsPMC7256513
CEDs000544Fermentation Processes For Beer?Fermentation processes for beer involve the conversion of sugars into alcohol and carbon dioxide by yeast.Food, food processing & cookwarePubChem
CEDs000545Food Preservation?Food preservation often involves the use of synthetic chemicals, such as preservatives, flavor enhancers, and color additives, to extend shelf life and enhance the sensory qualities of food products.Food, food processing & cookwarePubChem
CEDs000548Preparation Of Vinegar?Vinegar is produced through the fermentation of ethanol by acetic acid bacteria, resulting in a solution that typically contains 4-8% acetic acid.Food, food processing & cookwarePubChem
CEDs000552Processing Meats?Processing meats can lead to synthetic chemical contamination primarily through the use of additives and preservatives.Food, food processing & cookwarePubChem
CEDs000561Perfumes Within Detergents And Soaps?Perfumes within detergents and soaps are synthetic fragrance compounds added to enhance the sensory experience of cleaning products.Household cleaning & consumer productsPubChem
CEDs000563Soap Detergents?Soap detergents are synthetic surfactants designed to enhance the cleaning efficacy of water by reducing surface tension, allowing for better interaction with dirt and grease.Household cleaning & consumer productsPubChem
CEDs000580Manufacture Preparation Of Tobacco Products?The manufacture and preparation of tobacco products involve various processes that can result in the introduction of synthetic chemicals into the environment.Industrial manufacturing & chemical processingPubChem
CEDs000605Pest Repellants?Pest repellents, often formulated from synthetic chemicals, are widely used to protect crops from insect infestations and other pests.Agriculture & land managementPubChem
CEDs000610Aftersun Products?Aftersun products are designed to soothe and hydrate the skin after sun exposure, often containing various synthetic chemicals such as emollients, preservatives, and fragrances.Personal care & cosmeticsPubChem
CEDs000611Anti Perspirants Or Body Deoderants?Antiperspirants and body deodorants commonly contain synthetic chemicals such as aluminum compounds, parabens, and synthetic fragrances.Personal care & cosmeticsPubChem
CEDs000614Essential Oils Or Perfumes?Essential oils and perfumes are complex mixtures of volatile compounds derived from natural or synthetic sources, commonly used for their aromatic properties.Personal care & cosmeticsPubChem
CEDs000617Lip Care Products?Lip care products, including lipsticks, balms, and glosses, often contain a variety of synthetic chemicals such as parabens, phthalates, and synthetic fragrances.Personal care & cosmeticsPubChem
CEDs000618Lip Makeup Products?Lip makeup products, such as lipsticks, lip glosses, and lip liners, often contain a variety of synthetic chemicals, including pigments, preservatives, and emollients.Personal care & cosmeticsPubChem
CEDs000632Apparel?Apparel production often involves the use of various synthetic chemicals, including dyes, finishing agents, and preservatives.Textiles, leather & furnishingsPubChem
CEDs000678Nitrogenous Fertilisers?Nitrogenous fertilizers are synthetic chemical compounds primarily used to enhance plant growth by supplying essential nitrogen, a crucial nutrient for photosynthesis and protein synthesis.Agriculture & land managementPubChem
CEDs000679Phosphatic Fertilisers?Phosphatic fertilizers are synthetic chemical products primarily composed of phosphorus, which is essential for plant growth.Agriculture & land managementPubChem
CEDs000696Nanotechnology?Nanotechnology involves the manipulation of materials at the molecular or atomic level, typically within the range of 1 to 100 nanometers.Industrial manufacturing & chemical processingPubChem
CEDs000739Inks?Inks are complex mixtures composed of pigments or dyes, solvents, resins, and additives used primarily for printing and writing applications.Paper, pulp & fiber productsPubChem
CEDs000741Pigment Pastes?Pigment pastes are concentrated dispersions of pigments used to impart color and properties to materials.Paper, pulp & fiber productsPubChem
CEDs000744Water, Wastewater, & Sewage Treatment?Water, wastewater, and sewage treatment processes are critical for managing and mitigating pollutants in water systems.Wastewater, sanitation & biosolidsPubChem
CEDs00777Feed SolutionAgriculture & land managementPMC8620702
CEDs00782RhizosphereAgriculture & land managementPMC7405015
CEDs01144FoodFood, food processing & cookwarePMC10488873
CEDs01162Dairy ProductsFood, food processing & cookwarePMC8781958
CEDs02088Food WasteWaste management, landfill & incinerationPMC10700294
CEDs02243Drinking Water SystemsDrinking water & water supplyPMC7256513
CEDs02255WaterAquatic systems & sedimentsPMC12575471
CEDs02261Sea WaterAquatic systems & sedimentsPMC11088546 , PMC11088546
CEDs02265River WaterAquatic systems & sedimentsPMC12744683 , PMC12744683
CEDs02270RiverAquatic systems & sedimentsPMC11481588 , PMC7256513
CEDs02276Aquatic EnvironmentAquatic systems & sedimentsPMC9742279 , PMC7256513
CEDs02277Freshwater SystemsAquatic systems & sedimentsPMC7256513
CEDs02280OceanAquatic systems & sedimentsPMC11481588
CEDs02281Water SampleAquatic systems & sedimentsPMC11923036
CEDs02285AquiferAquatic systems & sedimentsPMC11481588
CEDs02286LakeAquatic systems & sedimentsPMC11481588
CEDs02297ReservoirAquatic systems & sedimentsPMC9558033 , PMC7860069
CEDs02380EstuaryAquatic systems & sedimentsPMC11088546 , PMC7256513
CEDs02589AirAir, dust & atmospheric transportPMC6928872 , PMC4927569
CEDs02591AtmosphereAir, dust & atmospheric transportPMC11603229
CEDs02954Fossil FuelsEnergy, oil & gasPMC10945255
CEDs02960Produced WaterEnergy, oil & gasPMC10922462
CEDs03009Waste WaterWastewater, sanitation & biosolidsPMC10700294
CEDs03056Sewage WaterWastewater, sanitation & biosolidsPMC7256513
CEDs03084Waste Activated SludgeWastewater, sanitation & biosolidsPMC10700294
CEDs03085Sewage SystemsWastewater, sanitation & biosolidsPMC7256513
CEDs03119Municipal Wastewater EffluentsWastewater, sanitation & biosolidsPMC9878729
CEDs03285Exhaust EmissionsAutomotive & urban infrastructurePMC10422562
CEDs03376OreMining & metal processingPMC7256513
Pathways
0 pathwaysPathway Source: PathBank

No pathways found

No metabolic pathways have been associated with this synthetic chemical

Targets
StructureProteinUniProt IDOrganismRelationshipDetails
Acetylcholinesterase structureClick to view 3D structureAcetylcholinesteraseP22303HumansKnownNot Available
Type 1 fimbrin D-mannose specific adhesin structureClick to view 3D structureType 1 fimbrin D-mannose specific adhesinP08191Escherichia coli K-12Predicted (SEA)
Prediction Confidence Score
0.522
Applicability Domain
0.692
Statistical Significance
1.00e-05
Supporting Reference Compounds
4
E-value
0.0778492
Lectin structureClick to view 3D structureLectinB4EH87Burkholderia cenocepacia (strain ATCC BAA-245 / DSM 16553 / LMG 16656/ NCTC 13227 / J2315 / CF5610) (Burkholderia cepacia (strain J2315))Predicted (SEA)
Prediction Confidence Score
0.465
Applicability Domain
0.51
Statistical Significance
1.00e-05
Supporting Reference Compounds
3
E-value
0.0778492
Trehalose-phosphatase structureClick to view 3D structureTrehalose-phosphataseA8NS89Brugia malayiPredicted (SEA)
Prediction Confidence Score
0.463
Applicability Domain
0.463
Statistical Significance
1.00e-05
Supporting Reference Compounds
1
E-value
0.0778492
Carbonic anhydrase 12 structureClick to view 3D structureCarbonic anhydrase 12O43570HumansPredicted (SEA)
Prediction Confidence Score
0.41
Applicability Domain
0.51
Statistical Significance
0.0048
Supporting Reference Compounds
332
E-value
37.4455
Click to view 3D structureTaste receptor type 2 member 16Q9NYV7HumansPredicted (SEA)
Prediction Confidence Score
0.407
Applicability Domain
0.722
Statistical Significance
2.00e-05
Supporting Reference Compounds
2
E-value
0.155698
Click to view 3D structureN-acetyllactosaminide alpha-1,3-galactosyltransferaseP50127Sus scrofaPredicted (SEA)
Prediction Confidence Score
0.403
Applicability Domain
0.403
Statistical Significance
3.00e-05
Supporting Reference Compounds
1
E-value
0.233548
Carbonic anhydrase 9 structureClick to view 3D structureCarbonic anhydrase 9Q16790HumansPredicted (SEA)
Prediction Confidence Score
0.382
Applicability Domain
0.51
Statistical Significance
0.0075
Supporting Reference Compounds
372
E-value
58.3869
Carbonic anhydrase 7 structureClick to view 3D structureCarbonic anhydrase 7P43166HumansPredicted (SEA)
Prediction Confidence Score
0.379
Applicability Domain
0.434
Statistical Significance
0.0051
Supporting Reference Compounds
242
E-value
39.8588
Carbonic anhydrase 1 structureClick to view 3D structureCarbonic anhydrase 1P00915HumansPredicted (SEA)
Prediction Confidence Score
0.379
Applicability Domain
0.434
Statistical Significance
0.0093
Supporting Reference Compounds
407
E-value
72.2441
Sodium/glucose cotransporter 2 structureClick to view 3D structureSodium/glucose cotransporter 2P31639HumansPredicted (SEA)
Prediction Confidence Score
0.364
Applicability Domain
0.393
Statistical Significance
9.80e-04
Supporting Reference Compounds
17
E-value
7.62922
Sodium/glucose cotransporter 1 structureClick to view 3D structureSodium/glucose cotransporter 1P13866HumansPredicted (SEA)
Prediction Confidence Score
0.36
Applicability Domain
0.393
Statistical Significance
7.30e-04
Supporting Reference Compounds
14
E-value
5.68299
PA-I galactophilic lectin structureClick to view 3D structurePA-I galactophilic lectinQ05097Pseudomonas aeruginosa (strain ATCC 15692 / PAO1 / 1C / PRS 101 / LMG12228)Predicted (SEA)
Prediction Confidence Score
0.35
Applicability Domain
0.486
Statistical Significance
6.00e-05
Supporting Reference Compounds
4
E-value
0.467095
Carbonic anhydrase 2 structureClick to view 3D structureCarbonic anhydrase 2P00918HumansPredicted (SEA)
Prediction Confidence Score
0.349
Applicability Domain
0.383
Statistical Significance
0.0174
Supporting Reference Compounds
472
E-value
135.224
Carbonic anhydrase 4 structureClick to view 3D structureCarbonic anhydrase 4P22748HumansPredicted (SEA)
Prediction Confidence Score
0.349
Applicability Domain
0.383
Statistical Significance
0.0062
Supporting Reference Compounds
193
E-value
48.4222
Solute carrier family 28 member 3 structureClick to view 3D structureSolute carrier family 28 member 3Q9HAS3HumansPredicted (SEA)
Prediction Confidence Score
0.347
Applicability Domain
0.436
Statistical Significance
5.50e-04
Supporting Reference Compounds
3
E-value
4.28171
Beta-1,4-galactosyltransferase 1 structureClick to view 3D structureBeta-1,4-galactosyltransferase 1P08037Bos taurusPredicted (SEA)
Prediction Confidence Score
0.344
Applicability Domain
0.426
Statistical Significance
8.00e-05
Supporting Reference Compounds
2
E-value
0.622794
Peptidoglycan-N-acetylglucosamine deacetylase structureClick to view 3D structurePeptidoglycan-N-acetylglucosamine deacetylaseQ8DP63Streptococcus pneumoniae (strain ATCC BAA-255 / R6)Predicted (SEA)
Prediction Confidence Score
0.328
Applicability Domain
0.328
Statistical Significance
6.00e-05
Supporting Reference Compounds
1
E-value
0.467095
Interleukin-2 structureClick to view 3D structureInterleukin-2P60568HumansPredicted (SEA)
Prediction Confidence Score
0.317
Applicability Domain
0.464
Statistical Significance
2.20e-04
Supporting Reference Compounds
15
E-value
1.71268
Oligo-1,6-glucosidase IMA1 structureClick to view 3D structureOligo-1,6-glucosidase IMA1P53051Saccharomyces cerevisiae S288cPredicted (SEA)
Prediction Confidence Score
0.315
Applicability Domain
0.315
Statistical Significance
4.20e-04
Supporting Reference Compounds
1
E-value
3.26967
Click to view 3D structureSolute carrier family 2, facilitated glucose transporter member 1P11167Rattus norvegicusPredicted (SEA)
Prediction Confidence Score
0.309
Applicability Domain
0.379
Statistical Significance
2.70e-04
Supporting Reference Compounds
2
E-value
2.10193
Gap junction beta-2 protein structureClick to view 3D structureGap junction beta-2 proteinP29033HumansPredicted (SEA)
Prediction Confidence Score
0.302
Applicability Domain
0.34
Statistical Significance
1.00e-04
Supporting Reference Compounds
2
E-value
0.778492
Galectin-3 structureClick to view 3D structureGalectin-3P17931HumansPredicted (SEA)
Prediction Confidence Score
0.3
Applicability Domain
0.346
Statistical Significance
0.0012
Supporting Reference Compounds
23
E-value
9.10836
CD44 antigen structureClick to view 3D structureCD44 antigenP16070HumansPredicted (SEA)
Prediction Confidence Score
0.295
Applicability Domain
0.295 Low confidence
Statistical Significance
2.00e-04
Supporting Reference Compounds
1
E-value
1.55698
CD44 antigen structureClick to view 3D structureCD44 antigenP15379Mus musculusPredicted (SEA)
Prediction Confidence Score
0.295
Applicability Domain
0.295 Low confidence
Statistical Significance
2.00e-04
Supporting Reference Compounds
1
E-value
1.55698
Click to view 3D structureAdenosine receptor A1P25099Rattus norvegicusPredicted (SEA)
Prediction Confidence Score
0.29
Applicability Domain
0.313
Statistical Significance
0.0197
Supporting Reference Compounds
221
E-value
153.207
Concentrations
Not Available
External Links
IdentifiersNot Available
References
Synthesis ReferenceNot Available
MSDSNot Available
General ReferencesNot Available