CHEBI:218568 - Reduced gliotoxin

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name Reduced gliotoxin
ChEBI ID CHEBI:218568
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C13H16N2O4S2
Net Charge 0
Average Mass 328.400
Monoisotopic Mass 328.05515
InChI InChI=1S/C13H16N2O4S2/c1-14-10(18)12(20)5-7-3-2-4-8(17)9(7)15(12)11(19)13(14,21)6-16/h2-4,8-9,16-17,20-21H,5-6H2,1H3
InChIKey XKTXYYQCJXOOPZ-UHFFFAOYSA-N
SMILES SC1(N(C(=O)C2(S)CC=3C(N2C1=O)C(O)C=CC3)C)CO
Metabolite of Species Details
Aspergillus thermomutatus (NCBI:txid41047) See: PubMed
ChEBI Ontology
Outgoing Reduced gliotoxin (CHEBI:218568) has functional parent α-amino acid (CHEBI:33704)
Reduced gliotoxin (CHEBI:218568) is a organonitrogen compound (CHEBI:35352)
Reduced gliotoxin (CHEBI:218568) is a organooxygen compound (CHEBI:36963)
IUPAC Name
6-hydroxy-3-(hydroxymethyl)-2-methyl-3,10a-bis(sulanyl)-6,10-dihydro-5aH-pyrazino[1,2-a]indole-1,4-dione
Manual Xref Database
34981171 ChemSpider
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