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CHEBI:146235 - angryline(1+)

ChEBI IDCHEBI:146235
ChEBI Nameangryline(1+)
Stars
DefinitionA methyl ester resulting from the formal condensation of the carboxy group of (5S,12bR,12cS)-7-carboxy-1-ethyl-3,6,8,12c-tetrahydro-4H-5,12b-ethanoindolo[3,2-a]quinolizin-5-ium with methanol.
Last Modified6 March 2020
SubmitterKristian Axelsen
DownloadsMolfile
FormulaC21H25N2O2
Net Charge+1
Average Mass337.443
Monoisotopic Mass337.19105
SMILESCCC1=CCC[N@+]23CC[C@]4(C(=C(C(=O)OC)C2)Nc2ccccc24)[C@H]13
InChIInChI=1S/C21H24N2O2/c1-3-14-7-6-11-23-12-10-21(19(14)23)16-8-4-5-9-17(16)22-18(21)15(13-23)20(24)25-2/h4-5,7-9,19H,3,6,10-13H2,1-2H3/p+1/t19-,21-,23-/m0/s1
InChIKeyACCBCPVKNNSQGL-RRPUWOKSSA-O
Roles Classification
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)
angryline(1+) (CHEBI:146235) is a alkaloid ester (CHEBI:38481)
angryline(1+) (CHEBI:146235) is a methyl ester (CHEBI:25248)
angryline(1+) (CHEBI:146235) is a monoterpenoid indole alkaloid (CHEBI:65323)
angryline(1+) (CHEBI:146235) is a organic heteropentacyclic compound (CHEBI:38164)
angryline(1+) (CHEBI:146235) is a quaternary ammonium ion (CHEBI:35267)
IUPAC Name 
(5S,12bR,12cS)-1-ethyl-7-(methoxycarbonyl)-3,6,8,12c-tetrahydro-4H-5,12b-ethanoindolo[3,2-a]quinolizin-5-ium
UniProt Name  Source
angrylineUniProt
Citations