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CHEBI:5385 - gliotoxin

ChEBI IDCHEBI:5385
ChEBI Namegliotoxin
Stars
DefinitionA pyrazinoindole with a disulfide bridge spanning a dioxo-substituted pyrazine ring; mycotoxin produced by several species of fungi.
Last Modified6 July 2015
DownloadsMolfile

FormulaC13H14N2O4S2
Net Charge0
Average Mass326.399
Monoisotopic Mass326.03950
SMILES[H][C@]12C(=CC=C[C@@H]1O)C[C@]13SS[C@](CO)(C(=O)N21)N(C)C3=O
InChIInChI=1S/C13H14N2O4S2/c1-14-10(18)12-5-7-3-2-4-8(17)9(7)15(12)11(19)13(14,6-16)21-20-12/h2-4,8-9,16-17H,5-6H2,1H3/t8-,9-,12+,13+/m0/s1
InChIKeyFIVPIPIDMRVLAY-RBJBARPLSA-N

Wikipedia
Roles Classification

ChEBI Ontology
IUPAC Name 
(3R,5aS,6S,10aR)-6-hydroxy-3-(hydroxymethyl)-2-methyl-2,3,6,10-tetrahydro-5aH-3,10a-epidithiopyrazino[1,2-a]indole-1,4-dione
Synonym  Source
AspergillinChemIDplus
Manual XrefsDatabases
C10595KEGG COMPOUND
GliotoxinWikipedia
C00002340KNApSAcK
2793PPDB
Registry NumbersSources
Reaxys:50675Reaxys
CAS:67-99-2KEGG COMPOUND
CAS:67-99-2ChemIDplus
Citations