sulfanegen (CHEBI:138170)

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ChEBI Name	sulfanegen

ChEBI ID	CHEBI:138170

Definition	A member of the class of dithianes that is 1,4-dithiane-2,5-dicarboxylic acid in which the hydrogens at positions 2 and 5 have been replaced by hydroxy groups. Sulfanegen is a prodrug for 3-mercaptopyruvic acid and is an experimental antidote for cyanide poisoning.

Stars	This entity has been manually annotated by the ChEBI Team.

Submitter	Bijay

Supplier Information

Download	Molfile XML SDF

Formula

C6H8O6S2

Net Charge

Average Mass

240.257

Monoisotopic Mass

239.97623

InChI

InChI=1S/C6H8O6S2/c7-3(8)5(11)1-13-6(12,2-14-5)4(9)10/h11-12H,1-2H2,(H,7,8)(H,9,10)

InChIKey

GYZMXMSJOZUNEQ-UHFFFAOYSA-N

SMILES

S1C(CSC(C1)(O)C(O)=O)(C(O)=O)O

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

Application(s):	prodrug A compound that, on administration, must undergo chemical conversion by metabolic processes before becoming the pharmacologically active drug for which it is a prodrug. antidote to cyanide poisoning A role borne by a molecule that acts to counteract or neutralize the deleterious effects of cyanide.

ChEBI Ontology
Outgoing	sulfanegen (CHEBI:138170) has role antidote to cyanide poisoning (CHEBI:90749) sulfanegen (CHEBI:138170) has role prodrug (CHEBI:50266) sulfanegen (CHEBI:138170) is a dicarboxylic acid (CHEBI:35692) sulfanegen (CHEBI:138170) is a dithianes (CHEBI:51652) sulfanegen (CHEBI:138170) is a monothiohemiketal (CHEBI:59801)

IUPAC Name

2,5-dihydroxy-1,4-dithiane-2,5-dicarboxylic acid

Last Modified

11 September 2017