ethionamide S-oxide

CHEBI:87805 ·resolve ·ANTIMYCOBACTERIAL ·EXACT SEEDED

A member of the class of pyridines that is the S-oxide and active metabolite of the antitubercular drug ethionamide. — ChEBI

Machine-generated and unreviewed. Identity, structure and cross-references come straight from ChEBI's and CARD's own data; no curator has signed off on this record yet.

Classification

Strictly broader compounds or drug classes this molecule belongs to.

CHEBI:26421 CHEBI:26421

Chemical structure

Computed structure properties
Molecular formula	C8H10N2OS
Charge	0
Average mass	182.248 Da
Monoisotopic mass	182.05138 Da
Source	ChEBI
InChIKey	QDQQNGZRIJPDGA-UHFFFAOYSA-N

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

Also called

1-(2-ethylpyridin-4-yl)-1-(oxo-λ4-sulfanylidene)methanamine (EXACT_SYNONYM)— chebi
ethionamide sulfoxide (EXACT_SYNONYM)— chebi
ethionamide sulphoxide (EXACT_SYNONYM)— chebi

Cross-references

Equivalent identifiers for this same structure in other resources.

hmdb:HMDB0060624
reaxys:472920

Activity roles

Every antimicrobial role a source asserts for this compound — the unreduced evidence behind its antimicrobial_class.

CHEBI:33231 CHEBI:33231
CHEBI:35816 CHEBI:35816

Source concepts

Every upstream concept that resolved to this record. The merge is the product: this is what shows ChEBI and CARD are describing the same structure.

Upstream concepts merged into this record
Source	Native ID	Label	Minted CURIE	Version
CHEBI	`CHEBI:87805`	ethionamide S-oxide	`antibioticmech:chebi-e9c14af9e0`	2026-08-30

Curation history

SEEDED_FROM_SOURCES 2026-08-30 · seed_from_sources
Seeded from data/raw/ inventories (CHEBI)
RESEEDED_FROM_SOURCES 2026-08-30 · seed_from_sources
Re-seeded from updated data/raw/ inventories
RESEEDED_FROM_SOURCES 2026-08-30 · seed_from_sources
Re-seeded from updated data/raw/ inventories

Provenance

Seeded by scripts/seed_from_sources.py from the committed inventories in data/raw/. View the record.