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CHEBI:142667 - methyl (1S,2S,16E)-16-ethylidene-2-formyl-4,14-diazatetracyclo[12.2.2.03,11.05,10]octadeca-3(11),5(10),6,8-tetraene-2-carboxylate

ChEBI IDCHEBI:142667
ChEBI Namemethyl (1S,2S,16E)-16-ethylidene-2-formyl-4,14-diazatetracyclo[12.2.2.03,11.05,10]octadeca-3(11),5(10),6,8-tetraene-2-carboxylate
Stars
ASCII Namemethyl (1S,2S,16E)-16-ethylidene-2-formyl-4,14-diazatetracyclo[12.2.2.0(3,11).0(5,10)]octadeca-3(11),5(10),6,8-tetraene-2-carboxylate
DefinitionA two-electron reduction of this compound results in CHEBI:9260
Last Modified16 April 2024
SubmitterKristian Axelsen
DownloadsMolfile
FormulaC21H24N2O3
Net Charge0
Average Mass352.434
Monoisotopic Mass352.17869
SMILES[H][C@@]12CCN(CCc3c(nc4ccccc34)[C@@]1(C=O)C(=O)OC)C/C2=C/C
InChIInChI=1S/C21H24N2O3/c1-3-14-12-23-10-8-16-15-6-4-5-7-18(15)22-19(16)21(13-24,20(25)26-2)17(14)9-11-23/h3-7,13,17,22H,8-12H2,1-2H3/b14-3-/t17-,21-/m0/s1
InChIKeyCDAXKECXRUNDCS-OSZHWHEXSA-N
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)
methyl (1S,2S,16E)-16-ethylidene-2-formyl-4,14-diazatetracyclo[12.2.2.03,11.05,10]octadeca-3(11),5(10),6,8-tetraene-2-carboxylate (CHEBI:142667) is a methyl ester (CHEBI:25248)
methyl (1S,2S,16E)-16-ethylidene-2-formyl-4,14-diazatetracyclo[12.2.2.03,11.05,10]octadeca-3(11),5(10),6,8-tetraene-2-carboxylate (CHEBI:142667) is a monoterpenoid indole alkaloid (CHEBI:65323)
methyl (1S,2S,16E)-16-ethylidene-2-formyl-4,14-diazatetracyclo[12.2.2.03,11.05,10]octadeca-3(11),5(10),6,8-tetraene-2-carboxylate (CHEBI:142667) is a organic heterotetracyclic compound (CHEBI:38163)
UniProt Name  Source
17-dehydrostemmadenineUniProt
Manual XrefsDatabases
CPD-27084MetaCyc
Citations