5a,6-anhydrobisdethiobis(methylthio)gliotoxin (CHEBI:218593)

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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	5a,6-anhydrobisdethiobis(methylthio)gliotoxin

ChEBI ID	CHEBI:218593

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

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C15H18N2O3S2

Net Charge

Average Mass

338.440

Monoisotopic Mass

338.07588

InChI

InChI=1S/C15H18N2O3S2/c1-16-12(19)14(21-2)8-10-6-4-5-7-11(10)17(14)13(20)15(16,9-18)22-3/h4-7,18H,8-9H2,1-3H3/t14-,15-/m1/s1

InChIKey

VRMGNHSNVZMDQN-HUUCEWRRSA-N

SMILES

S([C@]1(N(C(=O)[C@]2(SC)CC3=C(N2C1=O)C=CC=C3)C)CO)C

Metabolite of Species	Details
Aspergillus cejpii (NCBI:txid1884262)	See: PubMed

Roles Classification
Chemical Role(s):	Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Bronsted base). (via oxoacid )

ChEBI Ontology
Outgoing	5a,6-anhydrobisdethiobis(methylthio)gliotoxin (CHEBI:218593) is a indolyl carboxylic acid (CHEBI:46867)

IUPAC Name

(3R,10aR)-3-(hydroxymethyl)-2-methyl-3,10a-bis(methylsulanyl)-10H-pyrazino[1,2-a]indole-1,4-dione