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

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ChEBI Name N-(5-Oxo-4,5-dihydro[1,2]dithiolo[4,3-b]pyrrol-6-yl)octanamide
ChEBI ID CHEBI:177552
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C13H18N2O2S2
Net Charge 0
Average Mass 298.420
Monoisotopic Mass 298.08097
InChI InChI=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)
InChIKey KMGWVOLORMQZAF-UHFFFAOYSA-N
SMILES S1SC=C2NC(=O)C(NC(=O)CCCCCCC)=C12
Metabolite of Species Details
Sus scrofa (NCBI:txid9823) Found in Sausage (ENVO:00002166). See: MetaboLights Study
ChEBI Ontology
Outgoing 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 Xref Database
160986 ChemSpider
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Registry Number Type Source
92680-91-6 CAS Registry Number ChemIDplus