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CHEBI:213868 - Monathioamide A

ChEBI IDCHEBI:213868
ChEBI NameMonathioamide A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC15H20N2O3S
Net Charge0
Average Mass308.403
Monoisotopic Mass308.11946
SMILESCCCC1=C/C(=C/SC(=O)[C@@H](C)NC(C)=O)NC(=O)C=C1
InChIInChI=1S/C15H20N2O3S/c1-4-5-12-6-7-14(19)17-13(8-12)9-21-15(20)10(2)16-11(3)18/h6-10H,4-5H2,1-3H3,(H,16,18)(H,17,19)/b13-9-/t10-/m1/s1
InChIKeyMNXQILGAFRKSSF-PEHNMLCRSA-N
Species of MetaboliteComponentSourceComments
Pseudomonas (ncbitaxon:286) - PubMed (32194170)
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
Monathioamide A (CHEBI:213868) is a N-acyl-amino acid (CHEBI:51569)
IUPAC Name 
S-[(Z)-(7-oxo-4-propylazepin-2-ylidene)methyl] (2R)-2-acetamidopropanethioate
Manual XrefsDatabases
97510526ChemSpider