CHEBI:6956 - Mitragynine

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name Mitragynine
ChEBI ID CHEBI:6956
Stars This entity has been manually annotated by a third party.
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Formula C23H30N2O4
Net Charge 0
Average Mass 398.496
Monoisotopic Mass 398.221
InChI InChI=1S/C23H30N2O4/c1-5-14-12-25-10-9-15-21-18(7-6-8-20(21)28-3)24-22(15)19(25)11-16(14)17(13-27-2)23(26)29-4/h6-8,13-14,16,19,24H,5,9-12H2,1-4H3/b17-13+/t14-,16+,19+/m1/s1
InChIKey LELBFTMXCIIKKX-QVRQZEMUSA-N
SMILES CC[C@@H]1CN2CCc3c([nH]c4cccc(OC)c34)[C@@H]2C[C@@H]1\C(=C/OC)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 Mitragynine (CHEBI:6956) is a monoterpenoid indole alkaloid (CHEBI:65323)
Synonym Source
Mitragynine KEGG COMPOUND
Manual Xrefs Databases
C00001751 KNApSAcK
C09226 KEGG COMPOUND
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Registry Number Type Source
4098-40-2 CAS Registry Number KEGG COMPOUND
Last Modified
28 July 2014