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Deoxynivalenol

CAT: 0013-GTR19203430-02Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19203430-02Size:5 mg
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Description
Deoxynivalenol (Vomitoxin) is a Fusarium mycotoxin from the trichothecene family that contaminates food and feed. It crosses intestinal tight junctions via a cellular bypass, unaffected by PgP or MRP inhibitors, and induces gastrointestinal effects like diarrhea and inflammation. This compound is widely used in toxicology research for studying mycotoxin exposure in both in vitro cellular models and in vivo animal studies.
CAS Number
51481-10-8
Product Name Alternative
4-Deoxynivalenol, Deoxynivalenol, Vomitoxin
Purity
98.00% (May vary between batches)
Solubility
DMSO:260 mg/mL (877.43 mM) ;10% DMSO+40% PEG300+5% Tween 80+45% Saline:5 mg/mL (16.87 mM)
Smiles
CC1=C[C@H]2O[C@@H]3[C@H] (O) C[C@@] (C) ([C@]33CO3) [C@@]2 (CO) [C@H] (O) C1=O
Molecular Formula
C15H20O6
Molecular Weight
296.32
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Deoxynivalenol

Deoxynivalenol is a trichothecene mycotoxin produced by Fusarium to which wheat, barley, maize (corn) and their products are susceptible to contamination. It has a role as a mycotoxin. It is a primary alcohol, a secondary alpha-hydroxy ketone, a triol, a cyclic ketone, an enone and a trichothecene.

CAS Number51481-10-8
PubChem CID40024
IUPAC Name(1R,2R,3S,7R,9R,10R,12S)-3,10-dihydroxy-2-(hydroxymethyl)-1,5-dimethylspiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-4-one
Molecular FormulaC15H20O6
Molecular Weight296.31
XLogP-0.7
Topological Polar Surface Area99.5
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count1
Heavy Atom Count21
Formal Charge0
Complexity558
SMILES
CC1=C[C@@H]2[C@]([C@@H](C1=O)O)([C@]3(C[C@H]([C@H]([C@@]34CO4)O2)O)C)CO
InChI
InChI=1S/C15H20O6/c1-7-3-9-14(5-16,11(19)10(7)18)13(2)4-8(17)12(21-9)15(13)6-20-15/h3,8-9,11-12,16-17,19H,4-6H2,1-2H3/t8-,9-,11-,12-,13-,14-,15+/m1/s1
InChIKey
LINOMUASTDIRTM-QGRHZQQGSA-N
Chemical Structure
2D Structure
2D structure of Deoxynivalenol
CAS: 51481-10-8
CID: 40024
Formula: C15H20O6
MW: 296.31
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight296.31
XLogP3-0.7
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count1
Exact Mass296.12598835
Monoisotopic Mass296.12598835
Topological Polar Surface Area99.5 Ų
Heavy Atom Count21
Formal Charge0
Complexity558
Isotope Atom Count0
Defined Atom Stereocenter Count7
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
FD63586Deoxynivalenol

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