CHEBI:138861 - HT-2 toxin

ChEBI IDCHEBI:138861
ChEBI NameHT-2 toxin
Stars
DefinitionA trichothecene mycotoxin that is T-2 toxin in which the acetyloxy group at position 4S has been hydrolysed to the corresponding hydroxy group. It is the major metabolite of T-2 toxin.
Last Modified13 October 2020
Submittermwilliams
DownloadsMolfile
FormulaC22H32O8
Net Charge0
Average Mass424.490
Monoisotopic Mass424.20972
SMILES[H][C@@]12C=C(C)[C@@H](OC(=O)CC(C)C)C[C@]1(COC(C)=O)[C@@]1(C)[C@H](O)[C@@H](O)[C@@]([H])(O2)[C@@]12CO2
InChIInChI=1S/C22H32O8/c1-11(2)6-16(24)29-14-8-21(9-27-13(4)23)15(7-12(14)3)30-19-17(25)18(26)20(21,5)22(19)10-28-22/h7,11,14-15,17-19,25-26H,6,8-10H2,1-5H3/t14-,15+,17+,18+,19+,20+,21+,22-/m0/s1
InChIKeyPNKLMTPXERFKEN-MLXHEQMXSA-N
Roles Classification
Biological Roles:
apoptosis inducer  Any substance that induces the process of apoptosis (programmed cell death) in multi-celled organisms.
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)
HT-2 toxin (CHEBI:138861) has role apoptosis inducer (CHEBI:68495)
HT-2 toxin (CHEBI:138861) has role fungal metabolite (CHEBI:76946)
HT-2 toxin (CHEBI:138861) is a acetate ester (CHEBI:47622)
HT-2 toxin (CHEBI:138861) is a organic heterotetracyclic compound (CHEBI:38163)
HT-2 toxin (CHEBI:138861) is a trichothecene (CHEBI:55517)
Incoming Relation(s)
T-2 toxin (CHEBI:9381) has functional parent HT-2 toxin (CHEBI:138861)
IUPAC Name 
15-(acetyloxy)-3α,4β-dihydroxy-12,13-epoxytrichothec-9-en-8α-yl 3-methylbutanoate
Synonyms  Source
HT 2 toxinChemIDplus
mycotoxin HT 2ChemIDplus
toxin HT 2ChemIDplus
HT-2ChemIDplus
mycotoxin HT-2ChemIDplus
Manual XrefsDatabases
C19952KEGG COMPOUND
CPD-18504MetaCyc
C00012651KNApSAcK
Registry NumbersSources
CAS:26934-87-2ChemIDplus
CAS:26934-87-2NIST Chemistry WebBook
Citations