Turanose (CED0006490)

Record Information

Version

1.0

Creation Date

2016-05-25 21:37:02 UTC

Update Date

2026-04-04 19:45:09 UTC

Accession Number

CHEM024299

Identification

Common Name

Turanose

Class

Small Molecule

Description

Turanose is a chemical compound with the molecular formula C36H66O33. Turanose belongs to the fatty acyl glycosides, a subclass of fatty acyls within the organic compounds. With an average molecular weight of 1,027 g/mol, Turanose is a heavy molecule. This substance is identified in six recorded sources across two primary categories. Within the category of food, food processing, and cookware, it is found in the preparation of vinegar, the preparation of wort, and the processing of fish. It is also associated with molasses and the treatment of molasses, as well as agglomerated sugar products. Additionally, Turanose is found in household cleaning and consumer products, specifically within other smoking requisites.

Contaminant Type

Not Available

Chemical Structure

MOL SDF PDB SMILES InChI

Synonyms

Value	Source
3-O-alpha-D-Glucopyranosyl-D-fructose	ChEBI
alpha-D-GLCP-(1->3)-D-fru	ChEBI
D-(+)-Turanose	ChEBI
D-Turanose	ChEBI
3-O-a-D-Glucopyranosyl-D-fructose	Generator
3-O-Α-D-glucopyranosyl-D-fructose	Generator
a-D-GLCP-(1->3)-D-fru	Generator
Α-D-GLCP-(1->3)-D-fru	Generator
3-O-Hexopyranosylhex-2-ulose	HMDB

Chemical Formula

C₃₆H₆₆O₃₃

Average Molecular Mass

1026.889 g/mol

Monoisotopic Mass

1026.349 g/mol

CAS Registry Number

547-25-1

IUPAC Name

(3S,4R,5R)-1,4,5,6-tetrahydroxy-3-{[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}hexan-2-one

Traditional Name

turanose

SMILES

OCC(O)C(O)C(OC1OC(CO)C(O)C(O)C1O)C(=O)CO.OCC1OC(O)(CO)C(OC2OC(CO)C(O)C(O)C2O)C1O.OCC1OC(OC2C(O)C(O)COC2(O)CO)C(O)C(O)C1O

InChI Identifier

InChI=1S/3C12H22O11/c13-1-5-7(17)8(18)9(19)11(22-5)23-10-6(16)4(15)2-21-12(10,20)3-14;13-1-4-6(16)8(18)9(19)11(21-4)22-10-7(17)5(2-14)23-12(10,20)3-15;13-1-4(16)7(18)11(5(17)2-14)23-12-10(21)9(20)8(19)6(3-15)22-12/h2*4-11,13-20H,1-3H2;4,6-16,18-21H,1-3H2

InChI Key

DTUQSKSQTMCUHD-UHFFFAOYSA-N

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as fatty acyl glycosides of mono- and disaccharides. Fatty acyl glycosides of mono- and disaccharides are compounds composed of a mono- or disaccharide moiety linked to one hydroxyl group of a fatty alcohol or of a phosphorylated alcohol (phosphoprenols), a hydroxy fatty acid or to one carboxyl group of a fatty acid (ester linkage) or to an amino alcohol.

Kingdom

Organic compounds

Super Class

Lipids and lipid-like molecules

Class

Fatty Acyls

Sub Class

Fatty acyl glycosides

Direct Parent

Fatty acyl glycosides of mono- and disaccharides

Alternative Parents

Substituents

Fatty acyl glycoside of mono- or disaccharide
Alkyl glycoside
Disaccharide
Glycosyl compound
O-glycosyl compound
Fatty alcohol
Beta-hydroxy ketone
Oxane
Alpha-hydroxy ketone
Secondary alcohol
Ketone
Acetal
Organoheterocyclic compound
Oxacycle
Polyol
Alcohol
Primary alcohol
Carbonyl group
Hydrocarbon derivative
Organic oxide
Organic oxygen compound
Organooxygen compound
Aliphatic heteromonocyclic compound

Molecular Framework

Aliphatic heteromonocyclic compounds

External Descriptors

glycosylfructose (CHEBI:32528 )

Biological Properties

Status

Detected and Not Quantified

Origin

Not Available

Cellular Locations

Not Available

Biofluid Locations

Not Available

Tissue Locations

Not Available

Applications

Not Available

Biological Roles

Not Available

Chemical Roles

Not Available

Organoleptic Effects

Not Available

Physical Properties

State

Not Available

Appearance

Not Available

Experimental Properties

Property	Value
Melting Point	Not Available
Boiling Point	Not Available
Solubility	Not Available

Predicted Properties

Property	Value	Source
Water Solubility	298 g/L	ALOGPS
logP	-2.8	ALOGPS
logP	-5	ChemAxon
logS	-0.06	ALOGPS
pKa (Strongest Acidic)	12.1	ChemAxon
pKa (Strongest Basic)	-3	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	11	ChemAxon
Hydrogen Donor Count	8	ChemAxon
Polar Surface Area	197.37 Å²	ChemAxon
Rotatable Bond Count	8	ChemAxon
Refractivity	69.98 m³·mol⁻¹	ChemAxon
Polarizability	31.33 Å³	ChemAxon
Number of Rings	1	ChemAxon
Bioavailability	No	ChemAxon
Rule of Five	No	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	No	ChemAxon

Spectra

Spectrum Type	Description	Splash Key	Deposition Date	View
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-004i-9000000000-bc2f3b600f60e687a46a	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-004i-9000000000-bc2f3b600f60e687a46a	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-004i-9000000000-bc2f3b600f60e687a46a	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-004i-9000000000-e5a67b632bb21e28d52d	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-004i-9000000000-e5a67b632bb21e28d52d	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-004i-9000000000-e5a67b632bb21e28d52d	Not Available	View Spectrum

Toxicity Profile

Mechanism of Toxicity

Not Available

Carcinogenicity (IARC Classification)

Not Available

Minimum Risk Level

Not Available

Symptoms

Not Available

Treatment

Not Available

Toxicity Values

Toxicity Value	Unit	Value Range	Organism	Dose Descriptor	Route of Exposure	Predicted or Experimental	Reference
10247.0	Log mg/kg	[5800:18000]	Rat	LD50	oral	predicted	Not Available

Health Effects

Health Effect	Relationship	Direction	Reference

Exposure Sources

Source ID	Source	Sector	Reference
541	Agglomerated Sugar Products	Food, food processing & cookware	Not Available
546	Molasses And Treatment Of Molasses	Food, food processing & cookware	Not Available
548	Preparation Of Vinegar	Food, food processing & cookware	Not Available
550	Preparation Of Wort	Food, food processing & cookware	Not Available
551	Processing Fish	Food, food processing & cookware	Not Available
560	Other Smoking Requisites	Household cleaning & consumer products	Not Available
612	Body Washing Or Cleaning Implements	Personal care & cosmetics	Not Available

Pathways

0 pathways

No pathways found

No metabolic pathways have been associated with this synthetic chemical

Targets

Structure	Protein	UniProt ID	Organism	Relationship	Details
Click to view 3D structure	CMP-N-acetylneuraminate-beta-galactosamide-alpha-2,3-sialyltransferase 1	P54751	Mus musculus	Predicted (SEA)	5.29375
Click to view 3D structure	Killer cell lectin-like receptor subfamily B member 1A	P27471	Rattus norvegicus	Predicted (SEA)	5.76084
Click to view 3D structure	Gap junction beta-2 protein	P29033	Humans	Predicted (SEA)	4.12601
Click to view 3D structure	Sucrase-isomaltase, intestinal	P23739	Rattus norvegicus	Predicted (SEA)	9.49761
Click to view 3D structure	Lysosomal alpha-glucosidase	Q6P7A9	Rattus norvegicus	Predicted (SEA)	8.25202
Click to view 3D structure	Galectin-3	P17931	Humans	Predicted (SEA)	38.6911
Click to view 3D structure	Endo-beta-N-acetylglucosaminidase	Q9ZB22	Arthrobacter protophormiae	Predicted (SEA)	8.87481
Click to view 3D structure	Carbonic anhydrase 12	O43570	Humans	Predicted (SEA)	2692.65
Click to view 3D structure	Maltase-glucoamylase	O43451	Humans	Predicted (SEA)	24.3668
Click to view 3D structure	Peptidoglycan-N-acetylglucosamine deacetylase	Q8DP63	Streptococcus pneumoniae (strain ATCC BAA-255 / R6)	Predicted (SEA)	39.6253
Click to view 3D structure	Carbonic anhydrase 7	P43166	Humans	Predicted (SEA)	2734.69
Click to view 3D structure	Carbonic anhydrase 1	P00915	Humans	Predicted (SEA)	3542.84
Click to view 3D structure	B-cell receptor CD22	P20273	Humans	Predicted (SEA)	16.6597
Click to view 3D structure	Carbonic anhydrase 9	Q16790	Humans	Predicted (SEA)	4059.14
Click to view 3D structure	PA-I galactophilic lectin	Q05097	Pseudomonas aeruginosa (strain ATCC 15692 / PAO1 / 1C / PRS 101 / LMG12228)	Predicted (SEA)	12.6894
Click to view 3D structure	Beta-1,4-galactosyltransferase 1	P08037	Bos taurus	Predicted (SEA)	38.0683
Click to view 3D structure	Myelin-associated glycoprotein	P20916	Humans	Predicted (SEA)	3.50322
Click to view 3D structure	Alpha-amylase	Q7M328	Sus scrofa domesticus	Predicted (SEA)	8.32987
Click to view 3D structure	E-selectin	P98105	Rattus norvegicus	Predicted (SEA)	0.467095
Click to view 3D structure	Sialic acid-binding Ig-like lectin 7	Q9Y286	Humans	Predicted (SEA)	0.700643
Click to view 3D structure	CD44 antigen	P16070	Humans	Predicted (SEA)	3.50322
Click to view 3D structure	CD44 antigen	P15379	Mus musculus	Predicted (SEA)	3.50322
Click to view 3D structure	N-acetyllactosaminide alpha-1,3-galactosyltransferase	P50127	Sus scrofa	Predicted (SEA)	8.32987
Click to view 3D structure	Lectin	B4EH87	Burkholderia cenocepacia (strain ATCC BAA-245 / DSM 16553 / LMG 16656/ NCTC 13227 / J2315 / CF5610) (Burkholderia cepacia (strain J2315))	Predicted (SEA)	11.2881
Click to view 3D structure	Type 1 fimbrin D-mannose specific adhesin	P08191	Escherichia coli K-12	Predicted (SEA)	12.7673