2-Deoxy-2-[(1-hydroxyethylidene)amino]hexopyranose (CED0148749)

Record Information
Version1.0
Creation Date2026-04-05 11:43:15 UTC
Update Date2026-05-14 17:51:40 UTC
Accession NumberCHEM100504
Identification
Common Name2-Deoxy-2-[(1-hydroxyethylidene)amino]hexopyranose
ClassSmall Molecule
Description
2-Deoxy-2-[(1-hydroxyethylidene)amino]hexopyranose is an organic compound with the chemical formula C8H15NO6 and an average molecular weight of 221.21 g/mol. 2-Deoxy-2-[(1-hydroxyethylidene)amino]hexopyranose belongs to the carbohydrates and carbohydrate conjugates, a subclass of organooxygen compounds within the organic compounds. Industrially, the compound is utilized as a softener and conditioner. It has been identified in six recorded sources, including pipe accessories from household cleaning and consumer products, and radio transmission systems from electrical and electronic equipment. Additionally, it is found in food, food processing, and cookware, specifically during the processing of fish and the preparation of wort, vinegar, wine, or sparkling wine. In biological systems, 2-Deoxy-2-[(1-hydroxyethylidene)amino]hexopyranose acts on nine recorded protein targets. It functions as an inhibitor of Acetylcholinesterase (ACHE), Angiotensin-converting enzyme (ACE), Lysosomal acid glucosylceramidase (GBA1), and Peptidoglycan-N-acetylmuramic acid deacetylase PdaA (pdaA), as well as five other proteins.
Contaminant TypeNot Available
Chemical Structure
SynonymsNot Available
Chemical FormulaC8H15NO6
Average Molecular Mass221.209 g/mol
Monoisotopic Mass221.090 g/mol
CAS Registry Number10036-64-3
IUPAC NameNot Available
Traditional NameNot Available
SMILES[H][C@]1(O)O[C@]([H])(CO)[C@@]([H])(O)[C@]([H])(O)[C@@]1([H])NC(C)=O
InChI IdentifierInChI=1S/C8H15NO6/c1-3(11)9-5-7(13)6(12)4(2-10)15-8(5)14/h4-8,10,12-14H,2H2,1H3,(H,9,11)/t4-,5-,6-,7-,8+/m1/s1
InChI KeyOVRNDRQMDRJTHS-PVFLNQBWSA-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
Spectra
Spectrum TypeDescriptionSplash KeyDeposition DateView
Predicted GC-MSPredicted GC-MS Spectrumsplash10-0kn9-9510000000-8257171f06e4c704d6c7Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-00fr-0690000000-76eea9cfdbd489aa104eNot AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-0imi-2930000000-440841c73a9eca07c5dfNot AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-02nm-9600000000-e4f081a779068ec3341cNot AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-00dr-8920000000-b0218f0ec55de02b404dNot AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-0pb9-9820000000-ecdc02d885b289c2e845Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-0a4i-9100000000-582cce650e2eb7e1c0eaNot 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
3392.0Log mg/kg[1900:6000]RatLD50oralpredictedNot Available
Health Effects
Health EffectRelationshipDirectionReference
Exposure Sources
Source IDSourceSectorReference
233BrushesPersonal care & cosmeticsNot Available
530Radio Transmission SystemsElectrical & Electronic EquipmentNot 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
562Pipe AccessoriesHousehold cleaning & consumer productsNot Available
578Making CigarsIndustrial manufacturing & chemical processingNot Available
581Paper Making MachinesIndustrial manufacturing & chemical processingNot Available
602MolluscicidesAgriculture & land managementNot Available
616Face Mask CosmeticsPersonal care & cosmeticsNot Available
650Purses Luggage Hand BagsTextiles, leather & furnishingsNot Available
657Surface Finishing Of LeatherTextiles, leather & furnishingsNot Available
Pathways
0 pathways

No pathways found

No metabolic pathways have been associated with this synthetic chemical

Targets
StructureProteinUniProt IDOrganismRelationshipDetails
CD44 antigen structureClick to view 3D structureCD44 antigenP16070HumansPredicted (SEA)0.0778492
Click to view 3D structureCD44 antigenP15379Mus musculusPredicted (SEA)0.0778492
Click to view 3D structureKiller cell lectin-like receptor subfamily B member 1AP27471Rattus norvegicusPredicted (SEA)0.0778492
Click to view 3D structureN-acetyllactosaminide alpha-1,3-galactosyltransferaseP50127Sus scrofaPredicted (SEA)0.389246
Click to view 3D structureLectinB4EH87Burkholderia cenocepacia (strain ATCC BAA-245 / DSM 16553 / LMG 16656/ NCTC 13227 / J2315 / CF5610) (Burkholderia cepacia (strain J2315))Predicted (SEA)0.700643
N-acetylglucosamine-6-phosphate deacetylase structureClick to view 3D structureN-acetylglucosamine-6-phosphate deacetylaseQ9Y303HumansPredicted (SEA)0.233548
Asialoglycoprotein receptor 1 structureClick to view 3D structureAsialoglycoprotein receptor 1P07306HumansPredicted (SEA)0.0778492
Click to view 3D structureType 1 fimbrin D-mannose specific adhesinP08191Escherichia coli K-12Predicted (SEA)1.08989
Click to view 3D structureBeta-hexosaminidaseQ9HZK0Pseudomonas aeruginosa (strain ATCC 15692 / PAO1 / 1C / PRS 101 / LMG12228)Predicted (SEA)0.155698
Click to view 3D structureBeta-1,4-galactosyltransferase 1P08037Bos taurusPredicted (SEA)1.08989
Click to view 3D structureOligo-1,6-glucosidase IMA1P53051Saccharomyces cerevisiae S288cPredicted (SEA)3.34752
Galectin-7 structureClick to view 3D structureGalectin-7P47929HumansPredicted (SEA)0.778492
Click to view 3D structurePeptidoglycan-N-acetylglucosamine deacetylaseQ8DP63Streptococcus pneumoniae (strain ATCC BAA-255 / R6)Predicted (SEA)0.856341
Click to view 3D structureNeuraminidaseB4URF0Influenza A virusPredicted (SEA)8.87481
Click to view 3D structureNeuraminidaseQ3S340Influenza B virusPredicted (SEA)0.778492
Galectin-3 structureClick to view 3D structureGalectin-3P17931HumansPredicted (SEA)9.34191
Cytidine deaminase structureClick to view 3D structureCytidine deaminaseP32320HumansPredicted (SEA)8.17417
Click to view 3D structureAlpha-amylaseQ7M328Sus scrofa domesticusPredicted (SEA)1.08989
Galectin-9 structureClick to view 3D structureGalectin-9O00182HumansPredicted (SEA)9.809
Click to view 3D structureCytidine deaminaseP56389Mus musculusPredicted (SEA)11.366
Click to view 3D structureNeuraminidaseP03471Influenza A virus (A/Memphis/1/1971(H3N2))Predicted (SEA)6.07224
Solute carrier family 28 member 3 structureClick to view 3D structureSolute carrier family 28 member 3Q9HAS3HumansPredicted (SEA)21.2528
Carbonic anhydrase 12 structureClick to view 3D structureCarbonic anhydrase 12O43570HumansPredicted (SEA)587.528
Adenosine receptor A1 structureClick to view 3D structureAdenosine receptor A1P30542HumansPredicted (SEA)390.647
Click to view 3D structure1D-myo-inositol 2-acetamido-2-deoxy-alpha-D-glucopyranoside deacetylaseP9WJN3Mycobacterium tuberculosisPredicted (SEA)2.02408
Concentrations
Not Available
External Links
IdentifiersNot Available
References
Synthesis ReferenceNot Available
MSDSNot Available
General ReferencesNot Available