EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:224761 - 3-methyl-2-butenoylpyrrothine

ChEBI IDCHEBI:224761
ChEBI Name3-methyl-2-butenoylpyrrothine
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC11H12N2O2S2
Net Charge0
Average Mass268.363
Monoisotopic Mass268.03402
SMILESCC(C)=CC(=O)Nc1c2sscc-2n(C)c1=O
InChIInChI=1S/C11H12N2O2S2/c1-6(2)4-8(14)12-9-10-7(5-16-17-10)13(3)11(9)15/h4-5H,1-3H3,(H,12,14)
InChIKeyJFEBCAJATWCFMT-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Saccharothrix (ncbitaxon:2071) - PubMed (12374383)
ChEBI Ontology
Outgoing Relation(s)
3-methyl-2-butenoylpyrrothine (CHEBI:224761) is a aromatic amide (CHEBI:62733)
IUPAC Name 
3-methyl-N-(4-methyl-5-oxodithiolo[4,3-b]pyrrol-6-yl)but-2-enamide
Manual XrefsDatabases
435689ChemSpider