thiotropocin

CHEBI:29694 ·resolve ·ANTIBACTERIAL ·EXACT SEEDED

A thiocarbonyl compound that is 3,8-dihydrocyclohepta[c][1,2]oxathiole substituted at positions 3, 4 and 8 by oxo, hydroxy, and thiocarbonyl groups, respectively. It is an antibiotic first isolated in 1984 from the fermentation broth of Pseudomonas sp. CB104. — 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:27171 CHEBI:27171
CHEBI:33822 CHEBI:33822
CHEBI:38106 CHEBI:38106
CHEBI:50492 CHEBI:50492
CHEBI:51278 CHEBI:51278

Chemical structure

Computed structure properties
Molecular formula	C8H4O3S2
Charge	0
Average mass	212.251 Da
Monoisotopic mass	211.96019 Da
Source	ChEBI
InChIKey	DQGOJKVIMNNGAH-UHFFFAOYSA-N

SMILES

O=c1osc2c(=S)cccc(O)c12

InChI

InChI=1S/C8H4O3S2/c9-4-2-1-3-5(12)7-6(4)8(10)11-13-7/h1-3,9H

Also called

4-hydroxy-8-sulfanylidenecyclohepta[c][1,2]oxathiol-3(8H)-one (EXACT_SYNONYM)— chebi
4-hydroxy-8-sulfanylidene-3H,8H-cyclohepta[c][1,2]oxathiol-3-one (EXACT_SYNONYM)— chebi
4-hydroxy-8-thioxo-cyclohepta[c][1,2]oxathiol-3(8H)-one (EXACT_SYNONYM)— chebi

Cross-references

Equivalent identifiers for this same structure in other resources.

cas:89550-93-6
kegg.compound:C12105
knapsack:C00000333
reaxys:4415507

Activity roles

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

CHEBI:33282 CHEBI:33282

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:29694`	thiotropocin	`antibioticmech:chebi-901ab3d6ba`	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.