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CHEBI:218590 - 6-acetylbisdethiobis(methylthio)gliotoxin

ChEBI IDCHEBI:218590
ChEBI Name6-acetylbisdethiobis(methylthio)gliotoxin
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC17H22N2O5S2
Net Charge0
Average Mass398.506
Monoisotopic Mass398.09701
SMILESCS[C@]1(CO)C(=O)N2[C@H]3C(=CC=C[C@@H]3OC(C)=O)C[C@@]2(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/t12-,13-,16+,17+/m0/s1
InChIKeyVXWHYQLJXLMKDT-WRFANHODSA-N
Species of MetaboliteComponentSourceComments
Aspergillus cejpii (ncbitaxon:1884262) - PubMed (26258781)
ChEBI Ontology
Outgoing Relation(s)
6-acetylbisdethiobis(methylthio)gliotoxin (CHEBI:218590) has functional parent α-amino acid (CHEBI:33704)
6-acetylbisdethiobis(methylthio)gliotoxin (CHEBI:218590) is a organonitrogen compound (CHEBI:35352)
6-acetylbisdethiobis(methylthio)gliotoxin (CHEBI:218590) is a organooxygen compound (CHEBI:36963)
IUPAC Name 
[(3R,5aS,6S,10aR)-3-(hydroxymethyl)-2-methyl-3,10a-bis(methylsulanyl)-1,4-dioxo-6,10-dihydro-5aH-pyrazino[1,2-a]indol-6-yl] acetate
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24666682ChemSpider