CHEBI:146195 - 3-acetyldeoxynivalenol

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 3-acetyldeoxynivalenol
ChEBI ID CHEBI:146195
Definition A trichothecene mycotoxin that is deoxynivalenol acetylated on the oxygen at C-3. A skin and eye irritant, along with its 15-acetyl regioisomer and its parent deoxynivalenol it is considered among the most commonly and widely distributed cereal contaminants.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C17H22O7
Net Charge 0
Average Mass 338.356
Monoisotopic Mass 338.13655
InChI InChI=1S/C17H22O7/c1-8-4-11-16(6-18,13(21)12(8)20)15(3)5-10(23-9(2)19)14(24-11)17(15)7-22-17/h4,10-11,13-14,18,21H,5-7H2,1-3H3/t10-,11-,13-,14-,15-,16-,17+/m1/s1
InChIKey ADFIQZBYNGPCGY-HTJQZXIKSA-N
SMILES [H][C@@]12O[C@]3([H])C=C(C)C(=O)[C@@H](O)[C@]3(CO)[C@@](C)(C[C@H]1OC(C)=O)[C@]21CO1
Roles Classification
Biological Role(s): epitope
The biological role played by a material entity when bound by a receptor of the adaptive immune system. Specific site on an antigen to which an antibody binds.
mycotoxin
Poisonous substance produced by fungi.
(via trichothecene )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 3-acetyldeoxynivalenol (CHEBI:146195) has functional parent deoxynivalenol (CHEBI:10022)
3-acetyldeoxynivalenol (CHEBI:146195) has role epitope (CHEBI:53000)
3-acetyldeoxynivalenol (CHEBI:146195) has role mycotoxin (CHEBI:25442)
3-acetyldeoxynivalenol (CHEBI:146195) is a trichothecene (CHEBI:55517)
IUPAC Name
7α,15-dihydroxy-8-oxo-12,13-epoxytrichothec-9-en-3α-yl acetate
Synonyms Sources
(3α,7α)-3-(acetyloxy)-12,13-epoxy-7,15-dihydroxytrichothec-9-en-8-one ChEBI
15-ADON ChEBI
3-(acetyloxy)-12,13-epoxy-7α,15α-dihydroxytrichothec-9-en-8-one ChEBI
3-acetyl don ChemIDplus
3-acetyl-deoxynivalenol ChEBI
3-acetyl-DON ChEBI
Manual Xrefs Databases
CPD-18419 MetaCyc
FDB014986 FooDB
HMDB0036137 HMDB
View more database links
Registry Number Type Source
50722-38-8 CAS Registry Number ChemIDplus
Citations Waiting for Citations Types Sources
11510664 PubMed citation Europe PMC
14620907 PubMed citation Europe PMC
16521158 PubMed citation Europe PMC
21204935 PubMed citation Europe PMC
22016651 PubMed citation Europe PMC
22367943 PubMed citation Europe PMC
22465835 PubMed citation Europe PMC
22997060 PubMed citation Europe PMC
23025486 PubMed citation Europe PMC
23470877 PubMed citation Europe PMC
23605932 PubMed citation Europe PMC
23792671 PubMed citation Europe PMC
24385417 PubMed citation Europe PMC
25772259 PubMed citation Europe PMC
26274975 PubMed citation Europe PMC
26343882 PubMed citation Europe PMC
27131905 PubMed citation Europe PMC
27483321 PubMed citation Europe PMC
29914486 PubMed citation Europe PMC
30806951 PubMed citation Europe PMC
31442898 PubMed citation Europe PMC
32454357 PubMed citation Europe PMC
IND45257683 Agricola citation Europe PMC
Last Modified
08 October 2020