ethionamide S-oxide (CHEBI:87805)

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:87805 - ethionamide S-oxide

ChEBI ID	CHEBI:87805
ChEBI Name	ethionamide S-oxide
Stars
ASCII Name	ethionamide S-oxide
Definition	A member of the class of pyridines that is the S-oxide and active metabolite of the antitubercular drug ethionamide.
Last Modified	23 September 2015
Submitter	Anne Morgat
Downloads	Molfile

Formula	C8H10N2OS
Net Charge	0
Average Mass	182.248
Monoisotopic Mass	182.05138
SMILES	CCc1cc(C(N)=S=O)ccn1
InChI	InChI=1S/C8H10N2OS/c1-2-7-5-6(3-4-10-7)8(9)12-11/h3-5H,2,9H2,1H3
InChIKey	QDQQNGZRIJPDGA-UHFFFAOYSA-N

Species of Metabolite	Component	Source	Comments
Homo sapiens (ncbitaxon:9606)	-	PubMed (21268048)

Roles Classification

Biological Roles:

leprostatic drug A substance that suppresses Mycobacterium leprae, ameliorates the clinical manifestations of leprosy, and/or reduces the incidence and severity of leprous reactions.

antitubercular agent A substance that kills or slows the growth of Mycobacterium tuberculosis and is used in the treatment of tuberculosis.

fatty acid synthesis inhibitor Any pathway inhibitor that inhibits the synthesis of fatty acids.

human xenobiotic metabolite Any human metabolite produced by metabolism of a xenobiotic compound in humans.

Applications:

leprostatic drug A substance that suppresses Mycobacterium leprae, ameliorates the clinical manifestations of leprosy, and/or reduces the incidence and severity of leprous reactions.

antitubercular agent A substance that kills or slows the growth of Mycobacterium tuberculosis and is used in the treatment of tuberculosis.

antilipemic drug A substance used to treat hyperlipidemia (an excess of lipids in the blood).

ChEBI Ontology

Outgoing Relation(s)
	ethionamide S-oxide (CHEBI:87805) has functional parent ethionamide (CHEBI:4885)
	ethionamide S-oxide (CHEBI:87805) has role antilipemic drug (CHEBI:35679)
	ethionamide S-oxide (CHEBI:87805) has role antitubercular agent (CHEBI:33231)
	ethionamide S-oxide (CHEBI:87805) has role fatty acid synthesis inhibitor (CHEBI:50185)
	ethionamide S-oxide (CHEBI:87805) has role human xenobiotic metabolite (CHEBI:76967)
	ethionamide S-oxide (CHEBI:87805) has role leprostatic drug (CHEBI:35816)
	ethionamide S-oxide (CHEBI:87805) is a pyridines (CHEBI:26421)

IUPAC Name
1-(2-ethylpyridin-4-yl)-1-(oxo-λ⁴-sulfanylidene)methanamine

Synonyms	Source
ethionamide sulfoxide	ChEBI
ethionamide sulphoxide	HMDB

UniProt Name	Source
ethionamide S-oxide	UniProt

Manual Xrefs	Databases
HMDB0060624	HMDB

Registry Numbers	Sources
Reaxys:472920	Reaxys

Citations