EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:68757 - chetracin A

ChEBI IDCHEBI:68757
ChEBI Namechetracin A
Stars
DefinitionA natural product found in Chaetomium nigricolor and Chaetomium retardatum.( Compound class : epipolythiodioxopiperazines)
Last Modified8 July 2025
DownloadsMolfile
FormulaC30H40N6O8S8
Net Charge0
Average Mass869.220
Monoisotopic Mass868.06733
SMILES[H]OC([H])([H])[C@@]12SSSS[C@@]3(C(=O)N1C([H])([H])[H])N(C2=O)[C@@]1([H])N([H])[C@H]2C([H])C([H])C([H])C([H])[C@H]2[C@@]1([C@@]12[C@@H]4C([H])C([H])C([H])C([H])[C@@H]4N([H])[C@]1([H])N1C(=O)[C@]4(C([H])([H])O[H])SSSS[C@]1(C(=O)N4C([H])([H])[H])[C@@]2([H])O[H])[C@]3([H])O[H]
InChIInChI=1S/C30H40N6O8S8/c1-33-23(43)29-17(39)27(13-7-3-5-9-15(13)31-19(27)35(29)21(41)25(33,11-37)45-49-51-47-29)28-14-8-4-6-10-16(14)32-20(28)36-22(42)26(12-38)34(2)24(44)30(36,18(28)40)48-52-50-46-26/h13-20,31-32,37-40H,3-12H2,1-2H3/t13?,14?,15?,16?,17-,18-,19+,20+,25-,26-,27+,28+,29-,30-/m0/s1
InChIKeyPFPUKJNFELCZAQ-AAZDRVSSSA-N
Species of MetaboliteComponentSourceComments
Botryotrichum retardatum (ncbitaxon:2082612) - CiteXplore (c6152) species also known as Chaetomium retardatum.
Chaetomium nigricolor (ncbitaxon:192817) - CiteXplore (c6152)
ChEBI Ontology
Outgoing Relation(s)
chetracin A (CHEBI:68757) has role metabolite (CHEBI:25212)
chetracin A (CHEBI:68757) is a organic molecular entity (CHEBI:50860)
Manual XrefsDatabases
8616056ChemSpider
Citations