CHEBI:230469 - 17-dehydropreakuammicine(1+)

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ChEBI Name 17-dehydropreakuammicine(1+)
ChEBI ID CHEBI:230469
Definition Major species at pH 7.3.
Stars This entity has been manually annotated by a third party.
Submitter Kristian Axelsen
Supplier Information No supplier information found for this compound.
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Formula C21H23N2O3
Net Charge +1
Average Mass 351.425
Monoisotopic Mass 351.17032
InChI InChI=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
InChIKey OBUYIUIFFBCOOV-OQTQPSEISA-O
SMILES C12=C(C=CC=C1)N=C3[C@]([C@@]4(/C(/C[NH+]5[C@@H](C4)[C@]32CC5)=C\C)[H])(C(=O)OC)C=O
Roles Classification
Biological Role(s): metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
(via alkaloid )
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ChEBI Ontology
Outgoing 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)
Synonym Source
17-dehydropreakuammicine UniProt
Manual Xref Database
CPD-27085 MetaCyc accession
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