EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:177552 - N-(5-Oxo-4,5-dihydro[1,2]dithiolo[4,3-b]pyrrol-6-yl)octanamide

ChEBI IDCHEBI:177552
ChEBI NameN-(5-Oxo-4,5-dihydro[1,2]dithiolo[4,3-b]pyrrol-6-yl)octanamide
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC13H18N2O2S2
Net Charge0
Average Mass298.433
Monoisotopic Mass298.08097
SMILESCCCCCCCC(=O)Nc1c2sscc-2nc1=O
InChIInChI=1S/C13H18N2O2S2/c1-2-3-4-5-6-7-10(16)15-11-12-9(8-18-19-12)14-13(11)17/h8H,2-7H2,1H3,(H,14,17)(H,15,16)
InChIKeyKMGWVOLORMQZAF-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Sus scrofa (ncbitaxon:9823) Sausage (ENVO:00002166) MetaboLights (MTBLS2871)
ChEBI Ontology
Outgoing Relation(s)
N-(5-Oxo-4,5-dihydro[1,2]dithiolo[4,3-b]pyrrol-6-yl)octanamide (CHEBI:177552) is a aromatic amide (CHEBI:62733)
IUPAC Name 
N-(5-oxo-4H-dithiolo[4,3-b]pyrrol-6-yl)octanamide
Manual XrefsDatabases
160986ChemSpider
Registry NumbersSources
CAS:92680-91-6ChemIDplus