(2s,3r,4s,5r,6r)-2-[(5-bromo-4-chloro-1h-indol-3-yl)oxy]-6-(hydroxymethyl)oxane-3,4,5-triol (CED0153622)

Record Information
Version1.0
Creation Date2026-08-19 05:35:40 UTC
Update Date2026-08-19 05:35:40 UTC
Accession NumberCHEM178594
Identification
Common Name(2s,3r,4s,5r,6r)-2-[(5-bromo-4-chloro-1h-indol-3-yl)oxy]-6-(hydroxymethyl)oxane-3,4,5-triol
ClassSmall Molecule
Description
(2s,3r,4s,5r,6r)-2-[(5-bromo-4-chloro-1h-indol-3-yl)oxy]-6-(hydroxymethyl)oxane-3,4,5-triol belongs to the carbohydrates and carbohydrate conjugates, a subclass of organooxygen compounds within the organic compounds. This compound has the chemical formula C14H15BrClNO6 and an average molecular weight of 408.63 g/mol. It has been identified in or released from five recorded sources. These include food, food processing, and cookware, specifically during the preparation of vinegar, the preparation of wine or sparkling wine, and fermentation processes for beer. Additionally, the compound is associated with electrical and electronic equipment, specifically amplifiers and emergency protective devices.
Contaminant TypeNot Available
Chemical Structure
SynonymsNot Available
Chemical FormulaC14H15BrClNO6
Average Molecular Mass408.630 g/mol
Monoisotopic Mass406.977 g/mol
CAS Registry NumberNot Available
IUPAC NameNot Available
Traditional NameNot Available
SMILESNot Available
InChI IdentifierInChI=1S/C14H15BrClNO6/c15-5-1-2-6-9(10(5)16)7(3-17-6)22-14-13(21)12(20)11(19)8(4-18)23-14/h1-3,8,11-14,17-21H,4H2/t8-,11+,12+,13-,14-/m1/s1
InChI KeyOPIFSICVWOWJMJ-AEOCFKNESA-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 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 PropertiesNot Available
Spectra
SpectraNot Available
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
2542.0Log mg/kg[1400:4500]RatLD50oralpredictedNot Available
Health Effects
Health EffectRelationshipDirectionReference
Exposure Sources
Source IDSourceSectorReference
505AmplifiersElectrical & Electronic EquipmentNot Available
520Emergency Protective DevicesElectrical & Electronic EquipmentNot Available
544Fermentation Processes For BeerFood, food processing & cookwareNot Available
548Preparation Of VinegarFood, food processing & cookwareNot Available
549Preparation Of Wine Or Sparkling WineFood, food processing & cookwareNot Available
650Purses Luggage Hand BagsTextiles, leather & furnishingsNot Available
Pathways
0 pathways

No pathways found

No metabolic pathways have been associated with this synthetic chemical

Targets
StructureProteinUniProt IDOrganismRelationshipDetails
Click to view 3D structureType 1 fimbrin D-mannose specific adhesinP08191Escherichia coli K-12Predicted (SEA)0.934191
Click to view 3D structureLectinB4EH87Burkholderia cenocepacia (strain ATCC BAA-245 / DSM 16553 / LMG 16656/ NCTC 13227 / J2315 / CF5610) (Burkholderia cepacia (strain J2315))Predicted (SEA)1.16774
Carbonic anhydrase 12 structureClick to view 3D structureCarbonic anhydrase 12O43570HumansPredicted (SEA)110.546
Carbonic anhydrase 7 structureClick to view 3D structureCarbonic anhydrase 7P43166HumansPredicted (SEA)93.4191
Carbonic anhydrase 1 structureClick to view 3D structureCarbonic anhydrase 1P00915HumansPredicted (SEA)167.609
Click to view 3D structureN-acetyllactosaminide alpha-1,3-galactosyltransferaseP50127Sus scrofaPredicted (SEA)1.55698
Carbonic anhydrase 2 structureClick to view 3D structureCarbonic anhydrase 2P00918HumansPredicted (SEA)376.167
Carbonic anhydrase 4 structureClick to view 3D structureCarbonic anhydrase 4P22748HumansPredicted (SEA)113.193
Carbonic anhydrase 9 structureClick to view 3D structureCarbonic anhydrase 9Q16790HumansPredicted (SEA)287.653
Sodium/glucose cotransporter 1 structureClick to view 3D structureSodium/glucose cotransporter 1P13866HumansPredicted (SEA)10.5096
Solute carrier family 28 member 3 structureClick to view 3D structureSolute carrier family 28 member 3Q9HAS3HumansPredicted (SEA)15.2584
Sodium/glucose cotransporter 2 structureClick to view 3D structureSodium/glucose cotransporter 2P31639HumansPredicted (SEA)11.7552
Click to view 3D structureBeta-1,4-galactosyltransferase 1P08037Bos taurusPredicted (SEA)4.82665
Click to view 3D structureTaste receptor type 2 member 16Q9NYV7HumansPredicted (SEA)1.79053
Click to view 3D structureTrehalose-phosphataseA8NS89Brugia malayiPredicted (SEA)9.10836
Click to view 3D structurePA-I galactophilic lectinQ05097Pseudomonas aeruginosa (strain ATCC 15692 / PAO1 / 1C / PRS 101 / LMG12228)Predicted (SEA)2.41333
Click to view 3D structureEndo-beta-N-acetylglucosaminidaseQ9ZB22Arthrobacter protophormiaePredicted (SEA)2.88042
Click to view 3D structureOligo-1,6-glucosidase IMA1P53051Saccharomyces cerevisiae S288cPredicted (SEA)16.2705
Click to view 3D structureSolute carrier family 2, facilitated glucose transporter member 1P11167Rattus norvegicusPredicted (SEA)4.82665
Galectin-3 structureClick to view 3D structureGalectin-3P17931HumansPredicted (SEA)13.3122
Click to view 3D structurePeptidoglycan-N-acetylglucosamine deacetylaseQ8DP63Streptococcus pneumoniae (strain ATCC BAA-255 / R6)Predicted (SEA)5.2159
Click to view 3D structureAldo-keto reductase family 1 member B1P07943Rattus norvegicusPredicted (SEA)92.8741
CD44 antigen structureClick to view 3D structureCD44 antigenP16070HumansPredicted (SEA)4.67095
Click to view 3D structureCD44 antigenP15379Mus musculusPredicted (SEA)4.67095
Click to view 3D structureAdenosine kinaseA5U4N0Mycobacterium tuberculosis (strain ATCC 25177 / H37Ra)Predicted (SEA)34.3315
Concentrations
Not Available
External Links
IdentifiersNot Available
References
Synthesis ReferenceNot Available
MSDSNot Available
General ReferencesNot Available