CHEBI:146235 - angryline(1+)

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name angryline(1+)
ChEBI ID CHEBI:146235
Definition A 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.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter Kristian Axelsen
Supplier Information
Download Molfile XML SDF
Formula C21H25N2O2
Net Charge +1
Average Mass 337.442
Monoisotopic Mass 337.19105
InChI InChI=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
InChIKey ACCBCPVKNNSQGL-RRPUWOKSSA-O
SMILES C1C(=C2[C@]3(C4=CC=CC=C4N2)[C@H]5[N@@+]1(CCC=C5CC)CC3)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 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
Synonym Source
angryline UniProt
Citation Waiting for Citations Type Source
32066966 PubMed citation SUBMITTER
Last Modified
06 March 2020