CHEBI:138170 - sulfanegen

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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of the class of dithianes that is 1,4-dithiane-2,5-dicarboxylic acid in which the hydrogens at positions 2 and 5 have been replaced by hydroxy groups.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 0
Average Mass 240.257
Monoisotopic Mass 239.976
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.
View more via ChEBI Ontology
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
Manual Xrefs Databases
24830990 PubChem
US2016354341 Patent
WO2011133893 Patent
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Registry Numbers Types Sources
21914042 Reaxys Registry Number Reaxys
80003-64-1 CAS Registry Number ChemIDplus
Citations Waiting for Citations Types Sources
20705081 PubMed citation Europe PMC
21740135 PubMed citation Europe PMC
22392971 PubMed citation Europe PMC
23301495 PubMed citation Europe PMC
27308865 PubMed citation Europe PMC
28412453 PubMed citation Europe PMC
7054184 PubMed citation Europe PMC
Last Modified
11 September 2017