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Showing Compound Inulin (FDB001141)

Record Information
Version1.0
Creation date2010-04-08 22:04:51 UTC
Update date2019-11-26 02:56:00 UTC
Primary IDFDB001141
Secondary Accession NumbersNot Available
Chemical Information
FooDB NameInulin
DescriptionPresent in Jerusalem artichoke (Helianthus tuberosus) and in other members of Compositae About 30?40% of people in Central Europe suffer from fructose malabsorption. Since inulin is a fructan, excess dietary intake may lead to minor side effects such as increased flatulence and loosened bowel motions in those with fructose malabsorption. It is recommended that fructan intake for people with fructose malabsorption be kept to less than 0.5 grams/serving.; For both inulin and creatinine, the calculations involve concentrations in the urine and in the serum. However, unlike creatinine, inulin is not naturally present in the body. This is an advantage of inulin (because the amount infused will be known) and a disadvantage (because an infusion is necessary.); Inulin is increasingly used in processed foods because it has unusually adaptable characteristics. Its flavour ranges from bland to subtly sweet (approx. 10% sweetness of sugar/sucrose). It can be used to replace sugar, fat, and flour. This is particularly advantageous because inulin contains a third to a quarter of the food energy of sugar or other carbohydrates and a sixth to a ninth of the food energy of fat. While Inulin is a versatile ingredient, it also has health benefits. Inulin increases calcium absorption and possibly magnesium absorption, while promoting the growth of intestinal bacteria. Nutritionally, it is considered a form of soluble fiber and is sometimes categorized as a prebiotic. Inulin has a minimal impact on blood sugar, and?unlike fructose?is not insulemic and does not raise triglycerides, making it generally considered suitable for diabetics and potentially helpful in managing blood sugar-related illnesses. The consumption of large quantities (particularly by sensitive or unaccustomed individuals) can lead to gas and bloating, and products which contain Inulin will sometimes include a warning to add it gradually to ones diet.; The inulin test is a procedure by which the filtering capacity of the glomeruli (the main filtering structures of the kidney) is determined by measuring the rate at which inulin, the test substance, is cleared from blood plasma. Inulin is one of the more suitable and accurate substance to measure because it is a small, inert polysaccharide molecule that readily passes through the glomeruli. The inulin clearance test is performed by injecting inulin, waiting for it to be distributed, and then measuring plasma and urine inulin concentrations by various assays. As nutraceutical agents inulins may have antitumor, antimicrobial, hypolipidemic and hypoglycemic actions. They may also help to improve mineral absorption and balance and may have antiosteoporotic activity.; There is a single report of what is claimed to be an allergic reaction to inulin in the literature, but dietary inulin has small amounts of bacteria and fungal spores and this case is most likely to represent a reaction to one of these contaminants:[citation needed] every day billions of people eat inulin-containing foods, e.g. onions, without any suggestion of allergy. Inulin is found in many foods, some of which are asparagus, endive, giant butterbur, and dandelion.
CAS Number9005-80-5
Structure
Thumb
MOLSDFPDBSMILESInChI
Synonyms
SynonymSource
Dahlindb_source
Inulin [ban]biospider
Inulin and sodium chloridebiospider
Plant starchdb_source
Predicted Properties
PropertyValueSource
Water Solubility732 g/LALOGPS
logP-3.2ALOGPS
logP-6.1ChemAxon
logS0.16ALOGPS
pKa (Strongest Acidic)11.65ChemAxon
pKa (Strongest Basic)-3.5ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count16ChemAxon
Hydrogen Donor Count11ChemAxon
Polar Surface Area268.68 ŲChemAxon
Rotatable Bond Count9ChemAxon
Refractivity101.62 m³·mol⁻¹ChemAxon
Polarizability46.37 ųChemAxon
Number of Rings3ChemAxon
BioavailabilityNoChemAxon
Rule of FiveNoChemAxon
Ghose FilterNoChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleYesChemAxon
Chemical FormulaC18H32O16
IUPAC name2-{[2-({[3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy}methyl)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol
InChI IdentifierInChI=1S/C18H32O16/c19-1-6-9(23)12(26)13(27)16(31-6)34-18(15(29)11(25)8(3-21)33-18)5-30-17(4-22)14(28)10(24)7(2-20)32-17/h6-16,19-29H,1-5H2
InChI KeyVAWYEUIPHLMNNF-UHFFFAOYSA-N
Isomeric SMILESOCC1OC(CO)(OCC2(OC3OC(CO)C(O)C(O)C3O)OC(CO)C(O)C2O)C(O)C1O
Average Molecular Weight504.438
Monoisotopic Molecular Weight504.16903495
Classification
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
  • C-glycosyl compound
  • Glycosyl compound
  • O-glycosyl compound
  • Ketal
  • Oxane
  • Tetrahydrofuran
  • Secondary alcohol
  • Acetal
  • Oxacycle
  • Organoheterocyclic compound
  • Polyol
  • Alcohol
  • Primary alcohol
  • Hydrocarbon derivative
  • Aliphatic heteromonocyclic compound
Molecular FrameworkAliphatic heteromonocyclic compounds
External Descriptors
Ontology
OntologyNo ontology term
Physico-Chemical Properties
Physico-Chemical Properties - Experimental
PropertyValueReference
Physical stateNot Available
Physical DescriptionNot Available
Mass CompositionNot Available
Melting PointNot Available
Boiling PointNot Available
Experimental Water SolubilityNot Available
Experimental logPNot Available
Experimental pKaNot Available
Isoelectric pointNot Available
ChargeNot Available
Optical Rotation[a]20D -40 (c, 2.0 in H2O)DFC
Spectroscopic UV DataNot Available
DensityNot Available
Refractive IndexNot Available
Spectra
Spectra
EI-MS/GC-MSNot Available
MS/MS
TypeDescriptionSplash KeyView
Predicted MS/MSPredicted LC-MS/MS Spectrum - 10V, Positivesplash10-01rx-0709000000-a0e999cfcd0c4ba2d6a82016-08-01View Spectrum
Predicted MS/MSPredicted LC-MS/MS Spectrum - 20V, Positivesplash10-03gi-0904000000-6e7de03e516009ded3842016-08-01View Spectrum
Predicted MS/MSPredicted LC-MS/MS Spectrum - 40V, Positivesplash10-001i-3900000000-4c950f3aa022d977816d2016-08-01View Spectrum
Predicted MS/MSPredicted LC-MS/MS Spectrum - 10V, Negativesplash10-0200-1935100000-496b7cee8437475247262016-08-03View Spectrum
Predicted MS/MSPredicted LC-MS/MS Spectrum - 20V, Negativesplash10-01t9-0900000000-79c126044ff941a617122016-08-03View Spectrum
Predicted MS/MSPredicted LC-MS/MS Spectrum - 40V, Negativesplash10-004m-4900000000-ec59df92e0092388cd8a2016-08-03View Spectrum
NMRNot Available
ChemSpider IDNot Available
ChEMBL IDNot Available
KEGG Compound IDC03323
Pubchem Compound ID24763
Pubchem Substance IDNot Available
ChEBI ID15443
Phenol-Explorer IDNot Available
DrugBank IDDB00638
HMDB IDNot Available
CRC / DFC (Dictionary of Food Compounds) IDBTS95-D:BTS95-D
EAFUS IDNot Available
Dr. Duke IDINULIN|FRUCTANS
BIGG IDNot Available
KNApSAcK IDNot Available
HET IDNot Available
Food Biomarker OntologyNot Available
VMH IDNot Available
Flavornet IDNot Available
GoodScent IDNot Available
SuperScent IDNot Available
Wikipedia IDInulin
Phenol-Explorer Metabolite IDNot Available
Duplicate IDSNot Available
Old DFC IDSNot Available
Associated Foods
FoodContent Range AverageReference
FoodReference
Biological Effects and Interactions
Health Effects / Bioactivities
DescriptorIDDefinitionReference
alcohol dehydrogenase inhibitor50269 An EC 1.1.1.* (oxidoreductase acting on donor CH-OH group, NAD(+) or NADP(+) acceptor) inhibitor that interferes with the action of alcohol dehydrogenase (EC 1.1.1.1).DUKE
anti colitic52217 Any substance introduced into a living organism with therapeutic or diagnostic purpose.DUKE
anti diabetic52217 Any substance introduced into a living organism with therapeutic or diagnostic purpose.DUKE
anti diarrheic55323 Any drug found useful in the symptomatic treatment of diarrhoea.DUKE
anti obesity52217 Any substance introduced into a living organism with therapeutic or diagnostic purpose.DUKE
anti osteoporotic52217 Any substance introduced into a living organism with therapeutic or diagnostic purpose.DUKE
bifidogenicDUKE
chemopreventive35610 A substance that inhibits or prevents the proliferation of neoplasms.DUKE
expectorant52217 Any substance introduced into a living organism with therapeutic or diagnostic purpose.DUKE
gastrostimulant55324 A drug used for its effects on the gastrointestinal system, e.g. controlling gastric acidity, regulating gastrointestinal motility and water flow, and improving digestion.DUKE
hypocholesterolemicDUKE
hypoglycemic35526 A drug which lowers the blood glucose level.DUKE
immunostimulant50847 A substance that augments, stimulates, activates, potentiates, or modulates the immune response at either the cellular or humoral level. A classical agent (Freund's adjuvant, BCG, Corynebacterium parvum, et al.) contains bacterial antigens. It could also be endogenous (e.g., histamine, interferon, transfer factor, tuftsin, interleukin-1). Its mode of action is either non-specific, resulting in increased immune responsiveness to a wide variety of antigens, or antigen-specific, i.e., affecting a restricted type of immune response to a narrow group of antigens. The therapeutic efficacy is related to its antigen-specific immunoadjuvanticity.DUKE
laxative50503 An agent that produces a soft formed stool, and relaxes and loosens the bowels, typically used over a protracted period, to relieve constipation. Compare with cathartic, which is a substance that accelerates defecation. A substances can be both a laxative and a cathartic.DUKE
lipolyticDUKE
prebioticDUKE
probioticDUKE
probiotigenicDUKE
EnzymesNot Available
PathwaysNot Available
MetabolismNot Available
BiosynthesisNot Available
Organoleptic Properties
FlavoursNot Available
Files
MSDSNot Available
References
Synthesis ReferenceNot Available
General ReferenceNot Available
Content Reference— Duke, James. 'Dr. Duke's Phytochemical and Ethnobotanical Databases. United States Department of Agriculture.' Agricultural Research Service, Accessed April 27 (2004).