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CHEBI:157603 - isotrichodermol

Default Structure
ChEBI IDCHEBI:157603
ChEBI Nameisotrichodermol
Stars
DefinitionA trichothecene mycotoxin produced by Fusarium graminearum. It is a biosynthetic precursor in the synthesis of T2-toxin.
Last Modified26 November 2020
SubmitterKristian Axelsen
DownloadsMolfile
FormulaC15H22O3
Net Charge0
Average Mass250.338
Monoisotopic Mass250.15689
SMILES[H][C@@]12C=C(C)CC[C@]1(C)[C@@]1(C)C[C@@H](O)[C@@]([H])(O2)[C@@]12CO2
InChIInChI=1S/C15H22O3/c1-9-4-5-13(2)11(6-9)18-12-10(16)7-14(13,3)15(12)8-17-15/h6,10-12,16H,4-5,7-8H2,1-3H3/t10-,11-,12-,13+,14-,15+/m1/s1
InChIKeyICJDGHMOMSQSLB-LACSLYJWSA-N
Species of MetaboliteComponentSourceComments
Fusarium graminearum (ncbitaxon:5518) - PubMed (8684431)
Roles Classification
Biological Roles:
fungal metabolite  Any eukaryotic metabolite produced during a metabolic reaction in fungi, the kingdom that includes microorganisms such as the yeasts and moulds.
mycotoxin  Poisonous substance produced by fungi.
ChEBI Ontology
Outgoing Relation(s)
isotrichodermol (CHEBI:157603) has role fungal metabolite (CHEBI:76946)
isotrichodermol (CHEBI:157603) is a organic heterotetracyclic compound (CHEBI:38163)
isotrichodermol (CHEBI:157603) is a secondary alcohol (CHEBI:35681)
isotrichodermol (CHEBI:157603) is a trichothecene (CHEBI:55517)
IUPAC Name 
12,13-epoxytrichothec-9-en-3α-ol
Synonyms  Source
3-hydroxytrichotheceneKNApSAcK
(3α)-12,13-epoxytrichothec-9-en-3-olChemIDplus
UniProt Name  Source
isotrichodermolUniProt
Manual XrefsDatabases
C00012644KNApSAcK
CPD-18408MetaCyc
FDB014496FooDB
HMDB0035760HMDB
Registry NumbersSources
CAS:104155-10-4ChemIDplus
Citations