CHEBI:2532 - Akuammine

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name Akuammine
ChEBI ID CHEBI:2532
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C22H26N2O4
Net Charge 0
Average Mass 382.454
Monoisotopic Mass 382.18926
InChI InChI=1S/C22H26N2O4/c1-4-13-11-24-8-7-21-16-9-14(25)5-6-17(16)23(2)22(21)18(24)10-15(13)20(21,12-28-22)19(26)27-3/h4-6,9,15,18,25H,7-8,10-12H2,1-3H3/b13-4-/t15-,18+,20?,21+,22-/m1/s1
InChIKey YILKZADAWNUTTB-HWIVZZNESA-N
SMILES COC(=O)C12CO[C@]34[C@@H]5C[C@@H]1\C(CN5CC[C@]23c1cc(O)ccc1N4C)=C/C
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 Akuammine (CHEBI:2532) is a alkaloid (CHEBI:22315)
Akuammine (CHEBI:2532) is a methyl ester (CHEBI:25248)
Synonym Source
Akuammine KEGG COMPOUND
Manual Xrefs Databases
C00001682 KNApSAcK
C09027 KEGG COMPOUND
View more database links
Registry Number Type Source
3512-87-6 CAS Registry Number KEGG COMPOUND
Last Modified
09 March 2018