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CHEBI:29694 - thiotropocin

ChEBI IDCHEBI:29694
ChEBI Namethiotropocin
Stars
DefinitionA 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.
Last Modified3 September 2020
DownloadsMolfile
FormulaC8H4O3S2
Net Charge0
Average Mass212.251
Monoisotopic Mass211.96019
SMILESO=c1osc2c(=S)cccc(O)c12
InChIInChI=1S/C8H4O3S2/c9-4-2-1-3-5(12)7-6(4)8(10)11-13-7/h1-3,9H
InChIKeyDQGOJKVIMNNGAH-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Pseudomonas sp. (ncbitaxon:306) - PubMed (6511658) Strain: CB-104
Roseobacter sp. (ncbitaxon:1907202) - PubMed (16269767) Strain: 27-4
Roles Classification
Biological Roles:
antibacterial agent  A substance (or active part thereof) that kills or slows the growth of bacteria.
marine metabolite  Any metabolite produced during a metabolic reaction in marine macro- and microorganisms.
bacterial metabolite  Any prokaryotic metabolite produced during a metabolic reaction in bacteria.
ChEBI Ontology
Outgoing Relation(s)
thiotropocin (CHEBI:29694) has role antibacterial agent (CHEBI:33282)
thiotropocin (CHEBI:29694) has role bacterial metabolite (CHEBI:76969)
thiotropocin (CHEBI:29694) has role marine metabolite (CHEBI:76507)
thiotropocin (CHEBI:29694) is a organic heterobicyclic compound (CHEBI:27171)
thiotropocin (CHEBI:29694) is a organic hydroxy compound (CHEBI:33822)
thiotropocin (CHEBI:29694) is a organosulfur heterocyclic compound (CHEBI:38106)
thiotropocin (CHEBI:29694) is a thiocarbonyl compound (CHEBI:50492)
thiotropocin (CHEBI:29694) is a thionoester (CHEBI:51278)
thiotropocin (CHEBI:29694) is tautomer of tropodithietic acid (CHEBI:156455)
Incoming Relation(s)
tropodithietic acid (CHEBI:156455) is tautomer of thiotropocin (CHEBI:29694)
IUPAC Name 
4-hydroxy-8-sulfanylidenecyclohepta[c][1,2]oxathiol-3(8H)-one
Synonyms  Source
thiotropocinChemIDplus
4-hydroxy-8-sulfanylidene-3H,8H-cyclohepta[c][1,2]oxathiol-3-oneIUPAC
4-hydroxy-8-thioxo-cyclohepta[c][1,2]oxathiol-3(8H)-oneChEBI
Manual XrefsDatabases
C12105KEGG COMPOUND
C00000333KNApSAcK
Registry NumbersSources
Reaxys:4415507Reaxys
CAS:89550-93-6ChemIDplus
Citations