CHEBI:230509 - 4-methylajmaline

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name 4-methylajmaline
ChEBI ID CHEBI:230509
Definition Major species at pH 7.3.
Stars This entity has been manually annotated by a third party.
Submitter Kristian Axelsen
Supplier Information eMolecules:493292, ZINC000000967579
Download Molfile XML SDF
Formula C21H29N2O2
Net Charge +1
Average Mass 341.474
Monoisotopic Mass 341.22235
InChI InChI=1S/C21H29N2O2/c1-4-11-12-9-15-18-21(13-7-5-6-8-14(13)22(18)2)10-16(17(12)19(21)24)23(15,3)20(11)25/h5-8,11-12,15-20,24-25H,4,9-10H2,1-3H3/q+1/t11-,12-,15-,16-,17?,18-,19+,20+,21+,23?/m0/s1
InChIKey NCFABVDNFAPWSM-VKTPQWCKSA-N
SMILES N1([C@@]2([C@@]3(C4=C1C=CC=C4)[C@@H](C5[C@@H]([N+]6([C@]2(C[C@H]5[C@@H]([C@H]6O)CC)[H])C)C3)O)[H])C
Roles Classification
Chemical Role(s): Bronsted base
A molecular entity capable of accepting a hydron from a donor (Bronsted acid).
(via organic amino compound )
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 4-methylajmaline (CHEBI:230509) is a hemiaminal (CHEBI:73080)
4-methylajmaline (CHEBI:230509) is a monoterpenoid indole alkaloid (CHEBI:65323)
4-methylajmaline (CHEBI:230509) is a quaternary ammonium ion (CHEBI:35267)
Synonyms Sources
4-methylajmaline UniProt
Nβ-methylajmaline SUBMITTER
Manual Xref Database
CPD-21569 MetaCyc accession
View more database links
Citation Waiting for Citations Type Source
27122470 PubMed citation SUBMITTER