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CHEBI:197877 - 6-acetylmonodethiogliotoxin

ChEBI IDCHEBI:197877
ChEBI Name6-acetylmonodethiogliotoxin
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC15H16N2O5S
Net Charge0
Average Mass336.369
Monoisotopic Mass336.07799
SMILESCC(=O)O[C@H]1C=CC=C2C[C@@]34S[C@@](CO)(C(=O)N3[C@@H]21)N(C)C4=O
InChIInChI=1S/C15H16N2O5S/c1-8(19)22-10-5-3-4-9-6-14-12(20)16(2)15(7-18,23-14)13(21)17(14)11(9)10/h3-5,10-11,18H,6-7H2,1-2H3/t10-,11-,14-,15-/m0/s1
InChIKeyQTPKPCAJWYFVSQ-GVARAGBVSA-N
Species of MetaboliteComponentSourceComments
Aspergillus cejpii (ncbitaxon:1884262) - PubMed (26258781)
ChEBI Ontology
Outgoing Relation(s)
6-acetylmonodethiogliotoxin (CHEBI:197877) has functional parent α-amino acid (CHEBI:33704)
6-acetylmonodethiogliotoxin (CHEBI:197877) is a organonitrogen compound (CHEBI:35352)
6-acetylmonodethiogliotoxin (CHEBI:197877) is a organooxygen compound (CHEBI:36963)
IUPAC Name 
[(1S,7S,8S,11S)-11-(hydroxymethyl)-12-methyl-10,13-dioxo-14-thia-9,12-diazatetracyclo[9.2.1.01,9.03,8]tetradeca-3,5-dien-7-yl] acetate
Manual XrefsDatabases
78436292ChemSpider