EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:218577 - 6-acetylbis(methylthio)gliotoxin

ChEBI IDCHEBI:218577
ChEBI Name6-acetylbis(methylthio)gliotoxin
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC17H22N2O5S2
Net Charge0
Average Mass398.506
Monoisotopic Mass398.09701
SMILESCSC1(CO)C(=O)N2C3C(=CC=CC3OC(C)=O)CC2(SC)C(=O)N1C
InChIInChI=1S/C17H22N2O5S2/c1-10(21)24-12-7-5-6-11-8-16(25-3)14(22)18(2)17(9-20,26-4)15(23)19(16)13(11)12/h5-7,12-13,20H,8-9H2,1-4H3
InChIKeyVXWHYQLJXLMKDT-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Aspergillus thermomutatus (ncbitaxon:41047) - PubMed (25421322)
ChEBI Ontology
Outgoing Relation(s)
6-acetylbis(methylthio)gliotoxin (CHEBI:218577) has functional parent α-amino acid (CHEBI:33704)
6-acetylbis(methylthio)gliotoxin (CHEBI:218577) is a organonitrogen compound (CHEBI:35352)
6-acetylbis(methylthio)gliotoxin (CHEBI:218577) is a organooxygen compound (CHEBI:36963)
IUPAC Name 
[3-(hydroxymethyl)-2-methyl-3,10a-bis(methylsulanyl)-1,4-dioxo-6,10-dihydro-5aH-pyrazino[1,2-a]indol-6-yl] acetate
Manual XrefsDatabases
34981949ChemSpider