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CHEBI:80086 - Onnamide A

ChEBI IDCHEBI:80086
ChEBI NameOnnamide A
Stars
DownloadsMolfile
FormulaC39H63N5O12
Net Charge0
Average Mass793.956
Monoisotopic Mass793.44732
SMILES[H][C@]12O[C@H](C[C@H](O)CCC/C=C/C=C/C=C/C(=O)NC(CCCNC(=N)N)C(=O)O)C(C)(C)[C@H](OC)[C@H]1OCO[C@@H]2NC(=O)[C@@H](O)[C@@]1(OC)CC(=C)[C@@H](C)[C@@H](C)O1
InChIInChI=1S/C39H63N5O12/c1-23-21-39(52-7,56-25(3)24(23)2)32(47)34(48)44-35-31-30(53-22-54-35)33(51-6)38(4,5)28(55-31)20-26(45)16-13-11-9-8-10-12-14-18-29(46)43-27(36(49)50)17-15-19-42-37(40)41/h8-10,12,14,18,24-28,30-33,35,45,47H,1,11,13,15-17,19-22H2,2-7H3,(H,43,46)(H,44,48)(H,49,50)(H4,40,41,42)/b9-8+,12-10+,18-14+/t24-,25-,26-,27?,28-,30+,31+,32-,33-,35+,39-/m1/s1
InChIKeyYWUNVHXKGMPHDM-PZFGWAPWSA-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)
Onnamide A (CHEBI:80086) is a N-acyl-amino acid (CHEBI:51569)
Synonym  Source
OnnamideKEGG COMPOUND
Manual XrefsDatabases
C15762KEGG COMPOUND
Registry NumbersSources
CAS:115204-07-4KEGG COMPOUND