Dehydroxybisdethiobis(methylthio) gliotoxin (CHEBI:223931)

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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	Dehydroxybisdethiobis(methylthio) gliotoxin

ChEBI ID	CHEBI:223931

Stars	This entity has been manually annotated by a third party.

Submitter	MetaboLights

Supplier Information

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Formula

C15H20N2O3S2

Net Charge

Average Mass

340.460

Monoisotopic Mass

340.09153

InChI

InChI=1S/C15H20N2O3S2/c1-14(21-3)12(19)17-11-9(6-5-7-10(11)18)8-15(17,22-4)13(20)16(14)2/h5-7,10-11,18H,8H2,1-4H3/t10-,11-,14+,15+/m0/s1

InChIKey

LMIKSOSZXIDKTM-UOVKNHIHSA-N

SMILES

S([C@]1(N(C(=O)[C@]2(SC)CC=3[C@H](N2C1=O)[C@@H](O)C=CC3)C)C)C

Metabolite of Species	Details
Pseudallescheriaspecies (NCBI:txid1871353)	See: PubMed

ChEBI Ontology
Outgoing	Dehydroxybisdethiobis(methylthio) gliotoxin (CHEBI:223931) has functional parent α-amino acid (CHEBI:33704) Dehydroxybisdethiobis(methylthio) gliotoxin (CHEBI:223931) is a organonitrogen compound (CHEBI:35352) Dehydroxybisdethiobis(methylthio) gliotoxin (CHEBI:223931) is a organooxygen compound (CHEBI:36963)

IUPAC Name

(3R,5aS,6S,10aR)-6-hydroxy-2,3-dimethyl-3,10a-bis(methylsulanyl)-6,10-dihydro-5aH-pyrazino[1,2-a]indole-1,4-dione