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CHEBI:230509 - 4-methylajmaline

ChEBI IDCHEBI:230509
ChEBI Name4-methylajmaline
Stars
DefinitionMajor species at pH 7.3.
SubmitterKristian Axelsen
DownloadsMolfile
FormulaC21H29N2O2
Net Charge+1
Average Mass341.475
Monoisotopic Mass341.22235
SMILES[H][C@@]12N(C)c3ccccc3[C@]13C[C@H]1C([C@H]4C[C@]2([H])[N+]1(C)[C@H](O)[C@H]4CC)[C@H]3O
InChIInChI=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
InChIKeyNCFABVDNFAPWSM-VKTPQWCKSA-N
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
Biological Role:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
ChEBI Ontology
Outgoing Relation(s)
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)
Synonym  Source
Nβ-methylajmalineSUBMITTER
UniProt Name  Source
4-methylajmalineUniProt
Manual XrefsDatabases
CPD-21569MetaCyc
Citations