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CHEBI:10022 - deoxynivalenol

ChEBI IDCHEBI:10022
ChEBI Namedeoxynivalenol
Stars
DefinitionA trichothecene mycotoxin produced by Fusarium to which wheat, barley, maize (corn) and their products are susceptible to contamination.
Last Modified23 November 2020
DownloadsMolfile
FormulaC15H20O6
Net Charge0
Average Mass296.319
Monoisotopic Mass296.12599
SMILES[H][C@@]12C=C(C)C(=O)[C@@H](O)[C@]1(CO)[C@@]1(C)C[C@@H](O)[C@@]([H])(O2)[C@@]12CO2
InChIInChI=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
InChIKeyLINOMUASTDIRTM-QGRHZQQGSA-N
Wikipedia
Species of MetaboliteComponentSourceComments
Fusarium (ncbitaxon:5506) - PubMed (30802751)
Roles Classification
Biological Roles:
mycotoxin  Poisonous substance produced by fungi.
mycotoxin  Poisonous substance produced by fungi.
ChEBI Ontology
Outgoing Relation(s)
deoxynivalenol (CHEBI:10022) has role mycotoxin (CHEBI:25442)
deoxynivalenol (CHEBI:10022) is a cyclic ketone (CHEBI:3992)
deoxynivalenol (CHEBI:10022) is a enone (CHEBI:51689)
deoxynivalenol (CHEBI:10022) is a primary alcohol (CHEBI:15734)
deoxynivalenol (CHEBI:10022) is a secondary α-hydroxy ketone (CHEBI:2468)
deoxynivalenol (CHEBI:10022) is a trichothecene (CHEBI:55517)
deoxynivalenol (CHEBI:10022) is a triol (CHEBI:27136)
Incoming Relation(s)
15-acetyldeoxynivalenol (CHEBI:146194) has functional parent deoxynivalenol (CHEBI:10022)
3-acetyldeoxynivalenol (CHEBI:146195) has functional parent deoxynivalenol (CHEBI:10022)
DON-10-gamma-glutamylcysteine (CHEBI:149450) has functional parent deoxynivalenol (CHEBI:10022)
DON-10-glutathione (CHEBI:149452) has functional parent deoxynivalenol (CHEBI:10022)
DON-10-isoleucine (CHEBI:149454) has functional parent deoxynivalenol (CHEBI:10022)
DON-10-leucine (CHEBI:149456) has functional parent deoxynivalenol (CHEBI:10022)
DON-10-phenylalanine (CHEBI:149457) has functional parent deoxynivalenol (CHEBI:10022)
DON-10-S-cysteine (CHEBI:149447) has functional parent deoxynivalenol (CHEBI:10022)
DON-10-tyrosine (CHEBI:149459) has functional parent deoxynivalenol (CHEBI:10022)
DON-13-S-cysteine (CHEBI:149448) has functional parent deoxynivalenol (CHEBI:10022)
DON-15-penicillin G (CHEBI:149460) has functional parent deoxynivalenol (CHEBI:10022)
DON-15-sulfate (CHEBI:149455) has functional parent deoxynivalenol (CHEBI:10022)
DON-3-sulfate (CHEBI:149449) has functional parent deoxynivalenol (CHEBI:10022)
DON-sulfonate 1 (CHEBI:149440) has functional parent deoxynivalenol (CHEBI:10022)
DON-sulfonate 2 (CHEBI:149442) has functional parent deoxynivalenol (CHEBI:10022)
DON-sulfonate 3 (CHEBI:149446) has functional parent deoxynivalenol (CHEBI:10022)
IUPAC Name 
3α,7α,15-trihydroxy-12,13-epoxytrichothec-9-en-8-one
Synonyms  Source
VomitoxinKEGG COMPOUND
DONKEGG COMPOUND
3α,7α,15-trihydroxy-12,13-epoxytrichothec-9-en-8-oneChemIDplus
DesoxynivalenolChemIDplus
DehydronivalenolChemIDplus
4-DeoxynivalenolChemIDplus
Manual XrefsDatabases
C09747KEGG COMPOUND
C00003201KNApSAcK
LMPR0103180002LIPID MAPS
VomitoxinWikipedia
36584ChemSpider
Registry NumbersSources
CAS:51481-10-8KEGG COMPOUND
CAS:51481-10-8ChemIDplus
Citations