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CHEBI:80730 - Coronatine

ChEBI IDCHEBI:80730
ChEBI NameCoronatine
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FormulaC18H25NO4
Net Charge0
Average Mass319.401
Monoisotopic Mass319.17836
SMILES[H][C@]12C[C@@H](CC)C=C(C(=O)N[C@@]3(C(=O)O)C[C@@H]3CC)[C@@]1([H])CCC2=O
InChIInChI=1S/C18H25NO4/c1-3-10-7-13-12(5-6-15(13)20)14(8-10)16(21)19-18(17(22)23)9-11(18)4-2/h8,10-13H,3-7,9H2,1-2H3,(H,19,21)(H,22,23)/t10-,11+,12+,13+,18+/m1/s1
InChIKeyFMGBNISRFNDECK-CZSBRECXSA-N
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
Coronatine (CHEBI:80730) is a N-acyl-amino acid (CHEBI:51569)
Manual XrefsDatabases
C16790KEGG COMPOUND
C00000367KNApSAcK
Registry NumbersSources
CAS:62251-96-1KEGG COMPOUND