O-α-D-Glucopyranosyl-(1→4)-O-α-D-glucopyranosyl-(1→4)-D-glucopyranose (CED0133086)

Record Information
Version1.0
Creation Date2026-04-06 04:41:33 UTC
Update Date2026-04-06 04:41:33 UTC
Accession NumberCHEM117623
Identification
Common NameO-α-D-Glucopyranosyl-(1→4)-O-α-D-glucopyranosyl-(1→4)-D-glucopyranose
ClassSmall Molecule
Description
O-α-D-Glucopyranosyl-(1→4)-O-α-D-glucopyranosyl-(1→4)-D-glucopyranose belongs to the carbohydrates and carbohydrate conjugates, a subclass of organooxygen compounds within the organic compounds. With an average molecular weight of 504.44 g/mol, O-α-D-Glucopyranosyl-(1→4)-O-α-D-glucopyranosyl-(1→4)-D-glucopyranose is a heavy molecule. It has the chemical formula C18H32O16. This compound is found in or released from 18 recorded sources across various categories. Within food, food processing, and cookware, it is associated with the preparation of malt, vinegar, and wine or sparkling wine, as well as molasses and the treatment of molasses, and agglomerated sugar products, among four other sources. In the category of household cleaning and consumer products, it is linked to tobacco product cases, pipe accessories, other smoking requisites, and tobacco product moisture control. Additionally, the compound is found in electrical and electronic equipment, specifically within microphones, amplifiers, and television systems. It is also recorded in building and construction materials, including tents or canopies and ceilings.
Contaminant TypeNot Available
Chemical Structure
SynonymsNot Available
Chemical FormulaC18H32O16
Average Molecular Mass504.438 g/mol
Monoisotopic Mass504.169 g/mol
CAS Registry Number113158-51-3
IUPAC NameNot Available
Traditional NameNot Available
SMILESOC[C@H]1O[C@H](O[C@H]2[C@H](O)[C@@H](O)[C@@H](O[C@H]3[C@H](O)[C@@H](O)C(O)O[C@@H]3CO)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@@H]1O
InChI IdentifierInChI=1S/C18H32O16/c19-1-4-7(22)8(23)12(27)17(31-4)34-15-6(3-21)32-18(13(28)10(15)25)33-14-5(2-20)30-16(29)11(26)9(14)24/h4-29H,1-3H2/t4-,5-,6-,7-,8+,9-,10-,11-,12-,13-,14-,15-,16?,17-,18-/m1/s1
InChI KeyFYGDTMLNYKFZSV-DZOUCCHMSA-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
GC-MSGC-MS Spectrumsplash10-0uxr-0961000000-eedb43ec0d980ce3b6dcNot AvailableView Spectrum
GC-MSGC-MS Spectrumsplash10-0uxr-0961000000-f2a522371c62148c925cNot AvailableView Spectrum
GC-MSGC-MS Spectrumsplash10-0uxr-0972000000-ea64ef22a740ff6d7271Not AvailableView Spectrum
GC-MSGC-MS Spectrumsplash10-0udj-0972000000-4b10e9ea754fa393dc86Not AvailableView Spectrum
GC-MSGC-MS Spectrumsplash10-0fk9-9871000000-3de822f1f079a12db963Not AvailableView Spectrum
GC-MSGC-MS Spectrumsplash10-0fk9-9872000000-b2e2130ce45ac4ccf4aeNot AvailableView Spectrum
GC-MSGC-MS Spectrumsplash10-0udi-0961000000-beca1052fe892464807dNot AvailableView Spectrum
GC-MSGC-MS Spectrumsplash10-0udi-0971000000-f313bd9a2aaaf17d79d8Not AvailableView Spectrum
Predicted GC-MSPredicted GC-MS Spectrumsplash10-000l-2321900000-2c06af6e8c61473ee773Not AvailableView Spectrum
Predicted GC-MSPredicted GC-MS Spectrumsplash10-00sr-8325139000-e740f833d097d25517baNot AvailableView Spectrum
Predicted GC-MSPredicted GC-MS SpectrumNot AvailableNot AvailableView Spectrum
Predicted GC-MSPredicted GC-MS SpectrumNot AvailableNot AvailableView Spectrum
Predicted GC-MSPredicted GC-MS SpectrumNot AvailableNot AvailableView Spectrum
Predicted GC-MSPredicted GC-MS SpectrumNot AvailableNot AvailableView Spectrum
Predicted GC-MSPredicted GC-MS SpectrumNot AvailableNot AvailableView Spectrum
Predicted GC-MSPredicted GC-MS SpectrumNot AvailableNot AvailableView Spectrum
Predicted GC-MSPredicted GC-MS SpectrumNot AvailableNot AvailableView Spectrum
Predicted GC-MSPredicted GC-MS SpectrumNot AvailableNot AvailableView Spectrum
Predicted GC-MSPredicted GC-MS SpectrumNot AvailableNot AvailableView Spectrum
Predicted GC-MSPredicted GC-MS SpectrumNot AvailableNot AvailableView Spectrum
Predicted GC-MSPredicted GC-MS SpectrumNot AvailableNot AvailableView Spectrum
Predicted GC-MSPredicted GC-MS SpectrumNot AvailableNot AvailableView Spectrum
Predicted GC-MSPredicted GC-MS SpectrumNot AvailableNot AvailableView Spectrum
Predicted GC-MSPredicted GC-MS SpectrumNot AvailableNot AvailableView Spectrum
Predicted GC-MSPredicted GC-MS SpectrumNot AvailableNot AvailableView Spectrum
Predicted GC-MSPredicted GC-MS SpectrumNot AvailableNot AvailableView Spectrum
Predicted GC-MSPredicted GC-MS SpectrumNot AvailableNot AvailableView Spectrum
Predicted GC-MSPredicted GC-MS SpectrumNot AvailableNot AvailableView Spectrum
Predicted GC-MSPredicted GC-MS SpectrumNot AvailableNot AvailableView Spectrum
Predicted GC-MSPredicted GC-MS SpectrumNot AvailableNot AvailableView Spectrum
Predicted GC-MSPredicted GC-MS SpectrumNot AvailableNot AvailableView Spectrum
Predicted GC-MSPredicted GC-MS SpectrumNot AvailableNot AvailableView Spectrum
Predicted GC-MSPredicted GC-MS SpectrumNot AvailableNot AvailableView Spectrum
Predicted GC-MSPredicted GC-MS SpectrumNot AvailableNot AvailableView Spectrum
Predicted GC-MSPredicted GC-MS SpectrumNot AvailableNot AvailableView Spectrum
Predicted GC-MSPredicted GC-MS SpectrumNot AvailableNot AvailableView Spectrum
Predicted GC-MSPredicted GC-MS SpectrumNot AvailableNot AvailableView Spectrum
Predicted GC-MSPredicted GC-MS SpectrumNot AvailableNot AvailableView Spectrum
Predicted GC-MSPredicted GC-MS SpectrumNot AvailableNot AvailableView Spectrum
Predicted GC-MSPredicted GC-MS SpectrumNot AvailableNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-004i-0309000000-4045fdf8a9069c4881c3Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-03ds-4900000000-f4d71bfee642eb6d42d4Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-000i-9300000000-1c2e73b0b7042f4defbaNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-0ir0-5911000000-c2aba069e7ab6ddbefa6Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-0h90-5911000000-c6cda5cae8a5bd10ca18Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-03di-0912100000-60ed209b0f00a3da4a72Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-01ta-1915000000-b0d39ef12e4770ac5a7bNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-01p2-3900000000-31838da1618464c21d57Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-000i-9300000000-9962db732604388296e8Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-0fki-9400000000-344a3efdf9d48a80232cNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-0ik9-2911000000-e3324b3437347a37bc85Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-03di-0912100000-5f3e74c7cf091190956bNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-0imi-2921000000-b793883c01b0708cfc0aNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-00dr-9310000000-ac647e7f9a0fc0316603Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-06vu-0509520000-77aa8a8f584bac3d49c5Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-0059-0809000000-474431b9d89ea66d1b1bNot AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-01q9-1912100000-0e7fa2b5d3f11f84c425Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-0udr-0536960000-3a949257e44159506dbcNot AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-00bi-2915300000-b1a137d1e16f6457e14bNot AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-004i-3921000000-7390c3ce452a4426fd64Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-0a4i-0201490000-5516cf65275ea8244c0cNot AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-0bvs-1607930000-133513553ba8d0cecb5aNot AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-00bd-9310100000-5740681ad309d019462dNot AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-0udi-1002980000-d8f6dba60506c768fd51Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-0pba-9315740000-73a320207e66cfc146e9Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-0a70-9633100000-824013b286e00d77f08cNot AvailableView Spectrum
1D NMR1H NMR Spectrum (1D, D2O, predicted)Not AvailableNot AvailableView Spectrum
1D NMR13C NMR Spectrum (1D, D2O, predicted)Not AvailableNot AvailableView Spectrum
Toxicity Profile
Mechanism of ToxicityNot Available
Carcinogenicity (IARC Classification)Not Available
Minimum Risk LevelNot Available
SymptomsNot Available
TreatmentNot Available
Toxicity ValuesNot Available
Health Effects
Health EffectRelationshipDirectionReference
Exposure Sources
Source IDSourceSectorReference
495CeilingsBuilding & ConstructionNot Available
503Tents Or CanopiesBuilding & ConstructionNot Available
505AmplifiersElectrical & Electronic EquipmentNot Available
528MicrophonesElectrical & Electronic EquipmentNot Available
537Television SystemsElectrical & Electronic EquipmentNot Available
541Agglomerated Sugar ProductsFood, 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
553Treatment Of HopsFood, food processing & cookwareNot Available
560Other Smoking RequisitesHousehold cleaning & consumer productsNot Available
562Pipe AccessoriesHousehold cleaning & consumer productsNot Available
567Tobacco Product CasesHousehold cleaning & consumer productsNot Available
568Tobacco Product Moisture ControlHousehold cleaning & consumer productsNot Available
578Making CigarsIndustrial manufacturing & chemical processingNot Available
579Manufacture Of Iron Or SteelIndustrial manufacturing & chemical processingNot Available
616Face Mask CosmeticsPersonal care & cosmeticsNot Available
630ToysRecreation & sports surfacesNot Available
663Sanitary EquipmentWastewater, sanitation & biosolidsNot Available
Pathways
0 pathways

No pathways found

No metabolic pathways have been associated with this synthetic chemical

Targets
StructureProteinUniProt IDOrganismRelationshipDetails
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)0.155698
Click to view 3D structureAlpha-amylaseQ7M328Sus scrofa domesticusPredicted (SEA)0.233548
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 structureEndo-beta-N-acetylglucosaminidaseQ9ZB22Arthrobacter protophormiaePredicted (SEA)0.0778492
Click to view 3D structureN-acetyllactosaminide alpha-1,3-galactosyltransferaseP50127Sus scrofaPredicted (SEA)0.233548
Gap junction beta-2 protein structureClick to view 3D structureGap junction beta-2 proteinP29033HumansPredicted (SEA)0.467095
Galectin-3 structureClick to view 3D structureGalectin-3P17931HumansPredicted (SEA)7.62922
Click to view 3D structurePA-I galactophilic lectinQ05097Pseudomonas aeruginosa (strain ATCC 15692 / PAO1 / 1C / PRS 101 / LMG12228)Predicted (SEA)0.934191
Click to view 3D structureKiller cell lectin-like receptor subfamily B member 1AP27471Rattus norvegicusPredicted (SEA)0.155698
Click to view 3D structureLysosomal alpha-glucosidaseQ6P7A9Rattus norvegicusPredicted (SEA)2.95827
Beta-ketoacyl-[acyl-carrier-protein] synthase III structureClick to view 3D structureBeta-ketoacyl-[acyl-carrier-protein] synthase IIIP0A6R0Escherichia coli (strain K12)Predicted (SEA)0.467095
Click to view 3D structureHuman immunodeficiency virus type 1 REVQ77Y21Human immunodeficiency virus 1Predicted (SEA)0.544945
Carbonic anhydrase 12 structureClick to view 3D structureCarbonic anhydrase 12O43570HumansPredicted (SEA)224.751
Click to view 3D structureSucrase-isomaltase, intestinalP23739Rattus norvegicusPredicted (SEA)4.04816
Carbonic anhydrase 7 structureClick to view 3D structureCarbonic anhydrase 7P43166HumansPredicted (SEA)186.916
Carbonic anhydrase 1 structureClick to view 3D structureCarbonic anhydrase 1P00915HumansPredicted (SEA)349.076
Maltase-glucoamylase structureClick to view 3D structureMaltase-glucoamylaseO43451HumansPredicted (SEA)5.0602
Solute carrier family 28 member 3 structureClick to view 3D structureSolute carrier family 28 member 3Q9HAS3HumansPredicted (SEA)17.4382
Click to view 3D structureEndopolygalactyuronaseP79074Chondrostereum purpureumPredicted (SEA)0.389246
Carbonic anhydrase 9 structureClick to view 3D structureCarbonic anhydrase 9Q16790HumansPredicted (SEA)480.875
Gap junction alpha-1 protein structureClick to view 3D structureGap junction alpha-1 proteinP17302HumansPredicted (SEA)1.16774
Galectin-4 structureClick to view 3D structureGalectin-4P56470HumansPredicted (SEA)7.86277
N-acetylglucosamine-6-phosphate deacetylase structureClick to view 3D structureN-acetylglucosamine-6-phosphate deacetylaseQ9Y303HumansPredicted (SEA)3.19182
Concentrations
Not Available
External Links
IdentifiersNot Available
References
Synthesis ReferenceNot Available
MSDSNot Available
General ReferencesNot Available