CHEBI:3472 - Cathenamine

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ChEBI Name Cathenamine
ChEBI ID CHEBI:3472
Stars This entity has been manually annotated by a third party.
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Formula C21H22N2O3
Net Charge 0
Average Mass 350.412
Monoisotopic Mass 350.16304
InChI InChI=1S/C21H22N2O3/c1-12-16-10-23-8-7-14-13-5-3-4-6-18(13)22-20(14)19(23)9-15(16)17(11-26-12)21(24)25-2/h3-6,10-12,15,19,22H,7-9H2,1-2H3/t12-,15-,19-/m0/s1
InChIKey BXTHVTLKWJZGAA-ODYMNIRHSA-N
SMILES COC(=O)C1=CO[C@@H](C)C2=CN3CCc4c([nH]c5ccccc45)[C@@H]3C[C@H]12
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 Cathenamine (CHEBI:3472) is a yohimban alkaloid (CHEBI:27358)
Synonym Source
Cathenamine KEGG COMPOUND
Manual Xref Database
C11680 KEGG COMPOUND
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Registry Number Type Source
63661-74-5 CAS Registry Number KEGG COMPOUND
Last Modified
28 July 2014