CHEBI:9385 - Tabernamine

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name Tabernamine
ChEBI ID CHEBI:9385
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C40H48N4O2
Net Charge 0
Average Mass 616.836
Monoisotopic Mass 616.37773
InChI InChI=1S/C40H48N4O2/c1-5-23-15-22-16-32-37-28(13-14-44(20-22)39(23)32)27-12-11-25(17-34(27)42-37)30-18-29-24(6-2)21-43(3)35(36(29)40(45)46-4)19-31-26-9-7-8-10-33(26)41-38(30)31/h6-12,17,22-23,29-30,32,35-36,39,41-42H,5,13-16,18-21H2,1-4H3/b24-6-/t22-,23-,29?,30+,32-,35+,36?,39-/m0/s1
InChIKey MTARGWPMLJBYNG-GMVPLMGASA-N
SMILES CC[C@H]1C[C@H]2C[C@@H]3[C@H]1N(C2)CCc1c3[nH]c2cc(ccc12)[C@H]1C[C@@H]2C([C@@H](Cc3c1[nH]c1ccccc31)N(C)C\C2=C\C)C(=O)OC
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 )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing Tabernamine (CHEBI:9385) is a alkaloid (CHEBI:22315)
Synonym Source
Tabernamine KEGG COMPOUND
Manual Xrefs Databases
C00001771 KNApSAcK
C09242 KEGG COMPOUND
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Registry Number Type Source
59626-92-5 CAS Registry Number KEGG COMPOUND
Last Modified
28 July 2014