CHEBI:220497 - Compound 5

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name Compound 5
ChEBI ID CHEBI:220497
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C16H21NO4S
Net Charge 0
Average Mass 323.410
Monoisotopic Mass 323.11913
InChI InChI=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
InChIKey OCTNNAIBEKZOPK-BWLIDFMXSA-N
SMILES S(C(=O)/C=C\C=C\C)CC[C@H](NC(=O)\C=C/C=C/C)C(=O)O
Metabolite of Species Details
Punctularia strigosozonata (NCBI:txid202698) See: PubMed
Roles Classification
Chemical Role(s): Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing Compound 5 (CHEBI:220497) is a N-acyl-L-amino acid (CHEBI:21644)