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CHEBI:220497 - Compound 5

ChEBI IDCHEBI:220497
ChEBI NameCompound 5
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC16H21NO4S
Net Charge0
Average Mass323.414
Monoisotopic Mass323.11913
SMILESC/C=C/C=C\C(=O)N[C@@H](CCSC(=O)/C=C\C=C\C)C(=O)O
InChIInChI=1S/C16H21NO4S/c1-3-5-7-9-14(18)17-13(16(20)21)11-12-22-15(19)10-8-6-4-2/h3-10,13H,11-12H2,1-2H3,(H,17,18)(H,20,21)/b5-3+,6-4+,9-7-,10-8-/t13-/m0/s1
InChIKeyOCTNNAIBEKZOPK-BWLIDFMXSA-N
Species of MetaboliteComponentSourceComments
Punctularia strigosozonata (ncbitaxon:202698) - PubMed (31051070)
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
Compound 5 (CHEBI:220497) is a N-acyl-L-amino acid (CHEBI:21644)