CHEBI:80730 - Coronatine

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ChEBI Name Coronatine
ChEBI ID CHEBI:80730
Stars This entity has been manually annotated by a third party.
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Formula C18H25NO4
Net Charge 0
Average Mass 319.39540
Monoisotopic Mass 319.17836
InChI InChI=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
InChIKey FMGBNISRFNDECK-CZSBRECXSA-N
SMILES CC[C@H]1C[C@@]1(NC(=O)C1=C[C@H](CC)C[C@H]2[C@@H]1CCC2=O)C(O)=O
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 Coronatine (CHEBI:80730) is a N-acyl-amino acid (CHEBI:51569)
Manual Xrefs Databases
C00000367 KNApSAcK
C16790 KEGG COMPOUND
View more database links
Registry Number Type Source
62251-96-1 CAS Registry Number KEGG COMPOUND