Maltotriose (CED0004564)

Record Information
Version1.0
Creation Date2016-05-22 06:53:07 UTC
Update Date2026-04-06 13:02:49 UTC
SynCED IDCED0004564
Secondary Accession Numbers
  • CHEM020179
Identification
Common NameMaltotriose
ClassSmall Molecule
Description
Maltotriose belongs to the carbohydrates and carbohydrate conjugates, a subclass of organooxygen compounds within the organic compounds. It has the chemical formula C18H32O16. With an average molecular weight of 504.44 g/mol, Maltotriose is a heavy molecule.
Contaminant TypeNot Available
Chemical Structure
MOLSDF3D SDFPDBSMILESInChI View 3D Structure
Synonyms
ValueSource
(2R,3R,4S,5S,6R)-2-{[(2R,3S,4R,5R,6R)-4,5-dihydroxy-2-(hydroxymethyl)-6-{[(2R,3S,4R,5R)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy}oxan-3-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triolChEBI
alpha-D-GLC-(1->4)-alpha-D-GLC-(1->4)-D-GLCChEBI
alpha-D-Glucosyl-(1->4)-alpha-D-glucosyl-(1->4)-D-glucooseChEBI
AmylotrioseChEBI
D-MaltotrioseChEBI
Glcalpha1-4glcalpha1-4GLCChEBI
WURCS=2.0/2,3,2/[a2122h-1x_1-5][a2122h-1a_1-5]/1-2-2/a4-b1_b4-C1ChEBI
a-D-GLC-(1->4)-a-D-GLC-(1->4)-D-GLCGenerator
Α-D-GLC-(1->4)-α-D-GLC-(1->4)-D-GLCGenerator
a-D-Glucosyl-(1->4)-a-D-glucosyl-(1->4)-D-glucooseGenerator
Α-D-glucosyl-(1->4)-α-D-glucosyl-(1->4)-D-glucooseGenerator
4-O-(4-O-Hexopyranosylhexopyranosyl)hexoseHMDB
D-(+)-MaltotrioseHMDB
delta-(+)-MaltotrioseHMDB
O-alpha-D-Glucopyranosyl-(1beta94)-O-alpha-D-glucopyranosyl-(1beta94)-O-alpha-D-glucoseHMDB
O-alpha-delta-Glucopyranosyl-(1beta94)-O-alpha-delta-glucopyranosyl-(1beta94)-O-alpha-delta-glucoseHMDB
Chemical FormulaC18H32O16
Average Molecular Mass504.437 g/mol
Monoisotopic Mass504.169 g/mol
CAS Registry Number1109-28-0
IUPAC Name(2R,3R,4S,5S,6R)-2-{[(2R,3S,4R,5R,6R)-4,5-dihydroxy-2-(hydroxymethyl)-6-{[(2R,3S,4R,5R)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy}oxan-3-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol
Traditional Namemaltotriose
SMILESOC[C@@H](O)[C@@H](O[C@H]1O[C@H](CO)[C@@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O)[C@H](O)[C@@H](O)C=O
InChI IdentifierInChI=1S/C18H32O16/c19-1-5(23)9(25)15(6(24)2-20)33-18-14(30)12(28)16(8(4-22)32-18)34-17-13(29)11(27)10(26)7(3-21)31-17/h1,5-18,20-30H,2-4H2/t5-,6+,7+,8+,9+,10+,11-,12+,13+,14+,15+,16+,17+,18+/m0/s1
InChI KeyRXVWSYJTUUKTEA-CGQAXDJHSA-N
Chemical Taxonomy
Description Belongs to the class of organic compounds known as oligosaccharides. These are carbohydrates made up of 3 to 10 monosaccharide units linked to each other through glycosidic bonds.
KingdomOrganic compounds
Super ClassOrganic oxygen compounds
ClassOrganooxygen compounds
Sub ClassCarbohydrates and carbohydrate conjugates
Direct ParentOligosaccharides
Alternative Parents
Substituents
  • Oligosaccharide
  • O-glycosyl compound
  • Glycosyl compound
  • Oxane
  • Secondary alcohol
  • Hemiacetal
  • Oxacycle
  • Organoheterocyclic compound
  • Polyol
  • Acetal
  • Hydrocarbon derivative
  • Primary alcohol
  • Alcohol
  • Aliphatic heteromonocyclic compound
Molecular FrameworkAliphatic heteromonocyclic compounds
External DescriptorsNot Available
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 Solubility554 g/LALOGPS
logP-2.7ALOGPS
logP-6.5ChemAxon
logS0.04ALOGPS
pKa (Strongest Acidic)11.22ChemAxon
pKa (Strongest Basic)-3.6ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count16ChemAxon
Hydrogen Donor Count11ChemAxon
Polar Surface Area268.68 ŲChemAxon
Rotatable Bond Count7ChemAxon
Refractivity100.75 m³·mol⁻¹ChemAxon
Polarizability46.65 ųChemAxon
Number of Rings3ChemAxon
BioavailabilityNoChemAxon
Rule of FiveNoChemAxon
Ghose FilterNoChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleYesChemAxon
Spectra
Spectra
Spectrum TypeDescriptionSplash KeyDeposition DateView
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-052r-1504930000-ce1b2ddf5e8518842296Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-08ir-9825400000-62542e43321fae803d48Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-0lz9-6941100000-b8710ee7ac7bf975a151Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-000i-6415910000-4d66c00b9bf622f16471Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-0550-8915500000-cec5e84f772961281bfcNot AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-056r-7921000000-9492ea2ee313f485724aNot AvailableView Spectrum
Toxicity Profile
Toxicity Values
Toxicity ValueOrganismDose DescriptorRoute of ExposurePredicted or ExperimentalToxicity RatingReference
12752.0 Log mg/kg [7200:23000]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
Exposure Sources
Source IDSourceSectorReference
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
CEDs01196Fermented MilkFood, food processing & cookwarePMC10314206
CEDs01198HoneyFood, food processing & cookwarePMC5815988
CEDs01214BeersFood, food processing & cookwarePMC5203825
CEDs01614Sugar SolutionsFood, food processing & cookwarePMC12167104
Pathways
0 pathwaysPathway Source: PathBank

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)
Prediction Confidence Score
0.358
Applicability Domain
0.358
Statistical Significance
5.00e-05
Supporting Reference Compounds
1
E-value
0.389246
CD44 antigen structureClick to view 3D structureCD44 antigenP15379Mus musculusPredicted (SEA)
Prediction Confidence Score
0.358
Applicability Domain
0.358
Statistical Significance
5.00e-05
Supporting Reference Compounds
1
E-value
0.389246
Endo-beta-N-acetylglucosaminidase structureClick to view 3D structureEndo-beta-N-acetylglucosaminidaseQ9ZB22Arthrobacter protophormiaePredicted (SEA)
Prediction Confidence Score
0.347
Applicability Domain
0.347
Statistical Significance
8.00e-05
Supporting Reference Compounds
1
E-value
0.622794
Click to view 3D structureN-acetyllactosaminide alpha-1,3-galactosyltransferaseP50127Sus scrofaPredicted (SEA)
Prediction Confidence Score
0.338
Applicability Domain
0.338
Statistical Significance
1.50e-04
Supporting Reference Compounds
1
E-value
1.16774
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
0.312
Applicability Domain
0.367
Statistical Significance
3.50e-04
Supporting Reference Compounds
3
E-value
2.72472
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
0.309
Applicability Domain
0.367
Statistical Significance
4.60e-04
Supporting Reference Compounds
4
E-value
3.58106
Click to view 3D structureAlpha-amylaseQ7M328Sus scrofa domesticusPredicted (SEA)
Prediction Confidence Score
0.306
Applicability Domain
0.306
Statistical Significance
8.00e-05
Supporting Reference Compounds
1
E-value
0.622794
Click to view 3D structureE-selectinP98105Rattus norvegicusPredicted (SEA)
Prediction Confidence Score
0.305
Applicability Domain
0.305
Statistical Significance
5.00e-05
Supporting Reference Compounds
1
E-value
0.389246
Galectin-3 structureClick to view 3D structureGalectin-3P17931HumansPredicted (SEA)
Prediction Confidence Score
0.294
Applicability Domain
0.439
Statistical Significance
0.0012
Supporting Reference Compounds
23
E-value
9.6533
Gap junction beta-2 protein structureClick to view 3D structureGap junction beta-2 proteinP29033HumansPredicted (SEA)
Prediction Confidence Score
0.293
Applicability Domain
0.361
Statistical Significance
1.10e-04
Supporting Reference Compounds
2
E-value
0.856341
Sialic acid-binding Ig-like lectin 7 structureClick to view 3D structureSialic acid-binding Ig-like lectin 7Q9Y286HumansPredicted (SEA)
Prediction Confidence Score
0.277
Applicability Domain
0.277 Low confidence
Statistical Significance
9.00e-05
Supporting Reference Compounds
1
E-value
0.700643
Click to view 3D structureKiller cell lectin-like receptor subfamily B member 1AP27471Rattus norvegicusPredicted (SEA)
Prediction Confidence Score
0.268
Applicability Domain
0.286 Low confidence
Statistical Significance
1.80e-04
Supporting Reference Compounds
2
E-value
1.40129
Carbonic anhydrase 12 structureClick to view 3D structureCarbonic anhydrase 12O43570HumansPredicted (SEA)
Prediction Confidence Score
0.266
Applicability Domain
0.275 Low confidence
Statistical Significance
0.0737
Supporting Reference Compounds
332
E-value
573.515
Carbonic anhydrase 7 structureClick to view 3D structureCarbonic anhydrase 7P43166HumansPredicted (SEA)
Prediction Confidence Score
0.261
Applicability Domain
0.275 Low confidence
Statistical Significance
0.0593
Supporting Reference Compounds
242
E-value
461.879
Carbonic anhydrase 1 structureClick to view 3D structureCarbonic anhydrase 1P00915HumansPredicted (SEA)
Prediction Confidence Score
0.261
Applicability Domain
0.275 Low confidence
Statistical Significance
0.103
Supporting Reference Compounds
407
E-value
802.236
Click to view 3D structureCMP-N-acetylneuraminate-beta-galactosamide-alpha-2,3-sialyltransferase 1P54751Mus musculusPredicted (SEA)
Prediction Confidence Score
0.26
Applicability Domain
0.26 Low confidence
Statistical Significance
5.30e-04
Supporting Reference Compounds
1
E-value
4.12601
Click to view 3D structureLysosomal alpha-glucosidaseQ6P7A9Rattus norvegicusPredicted (SEA)
Prediction Confidence Score
0.252
Applicability Domain
0.316
Statistical Significance
6.40e-04
Supporting Reference Compounds
21
E-value
4.98235
Endopolygalactyuronase structureClick to view 3D structureEndopolygalactyuronaseP79074Chondrostereum purpureumPredicted (SEA)
Prediction Confidence Score
0.25
Applicability Domain
0.25 Low confidence
Statistical Significance
1.40e-04
Supporting Reference Compounds
1
E-value
1.08989
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
0.249
Applicability Domain
0.367
Statistical Significance
5.20e-04
Supporting Reference Compounds
4
E-value
4.04816
Click to view 3D structureSucrase-isomaltase, intestinalP23739Rattus norvegicusPredicted (SEA)
Prediction Confidence Score
0.248
Applicability Domain
0.316
Statistical Significance
8.80e-04
Supporting Reference Compounds
25
E-value
6.85073
Carbonic anhydrase 9 structureClick to view 3D structureCarbonic anhydrase 9Q16790HumansPredicted (SEA)
Prediction Confidence Score
0.247
Applicability Domain
0.275 Low confidence
Statistical Significance
0.1458
Supporting Reference Compounds
372
E-value
1134.96
Click to view 3D structureHuman immunodeficiency virus type 1 REVQ77Y21Human immunodeficiency virus 1Predicted (SEA)
Prediction Confidence Score
0.246
Applicability Domain
0.328
Statistical Significance
1.00e-04
Supporting Reference Compounds
4
E-value
0.778492
Beta-ketoacyl-[acyl-carrier-protein] synthase III structureClick to view 3D structureBeta-ketoacyl-[acyl-carrier-protein] synthase IIIP0A6R0Escherichia coli (strain K12)Predicted (SEA)
Prediction Confidence Score
0.245
Applicability Domain
0.361
Statistical Significance
1.10e-04
Supporting Reference Compounds
3
E-value
0.856341
Carbonic anhydrase 2 structureClick to view 3D structureCarbonic anhydrase 2P00918HumansPredicted (SEA)
Prediction Confidence Score
0.241
Applicability Domain
0.269 Low confidence
Statistical Significance
0.2159
Supporting Reference Compounds
472
E-value
1681.0
Carbonic anhydrase 4 structureClick to view 3D structureCarbonic anhydrase 4P22748HumansPredicted (SEA)
Prediction Confidence Score
0.241
Applicability Domain
0.269 Low confidence
Statistical Significance
0.0774
Supporting Reference Compounds
193
E-value
602.631
Concentrations
Not Available
External Links
DrugBank IDNot Available
HMDB IDHMDB0001262
FooDB IDFDB001196
Phenol Explorer IDNot Available
KNApSAcK IDC00055979
BiGG ID38512
BioCyc IDMALTOTRIOSE
METLIN ID3585
PDB IDNot Available
Wikipedia LinkMaltotriose
Chemspider ID388669
ChEBI ID140999
PubChem Compound ID439586
Kegg Compound IDC01835
YMDB IDNot Available
ECMDB IDECMDB01262
References
Synthesis ReferenceNot Available
MSDSNot Available
General ReferencesNot Available