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CHEBI:230469 - 17-dehydropreakuammicine(1+)

ChEBI IDCHEBI:230469
ChEBI Name17-dehydropreakuammicine(1+)
Stars
DefinitionMajor species at pH 7.3.
SubmitterKristian Axelsen
DownloadsMolfile
FormulaC21H23N2O3
Net Charge+1
Average Mass351.426
Monoisotopic Mass351.17032
SMILES[H][C@@]12C[C@@H]3[NH+](CC[C@]34C(=Nc3ccccc34)[C@@]1(C=O)C(=O)OC)C/C2=C/C
InChIInChI=1S/C21H22N2O3/c1-3-13-11-23-9-8-20-14-6-4-5-7-16(14)22-18(20)21(12-24,19(25)26-2)15(13)10-17(20)23/h3-7,12,15,17H,8-11H2,1-2H3/p+1/b13-3-/t15-,17-,20+,21-/m0/s1
InChIKeyOBUYIUIFFBCOOV-OQTQPSEISA-O
Roles Classification
Biological Role:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
ChEBI Ontology
Outgoing Relation(s)
17-dehydropreakuammicine(1+) (CHEBI:230469) is a monoterpenoid indole alkaloid (CHEBI:65323)
17-dehydropreakuammicine(1+) (CHEBI:230469) is a organic cation (CHEBI:25697)
17-dehydropreakuammicine(1+) (CHEBI:230469) is a organic heterotetracyclic compound (CHEBI:38163)
UniProt Name  Source
17-dehydropreakuammicineUniProt
Manual XrefsDatabases
CPD-27085MetaCyc
Citations