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CHEBI:142770 - dihydroprecondylocarpine acetate

ChEBI IDCHEBI:142770
ChEBI Namedihydroprecondylocarpine acetate
Stars
DefinitionAn organic cation which is an intermediate in the biosynthetic pathway leading to the synthesis of the monoterpenoid indole alkaloids, catharanthine and tabersonine.
Last Modified11 December 2018
SubmitterKristian Axelsen
DownloadsMolfile
FormulaC23H29N2O4
Net Charge+1
Average Mass397.495
Monoisotopic Mass397.21218
SMILES[H][C@]12CC[N+](=CC1CC)CCc1c(nc3ccccc13)[C@@]2(COC(C)=O)C(=O)OC
InChIInChI=1S/C23H29N2O4/c1-4-16-13-25-11-9-18-17-7-5-6-8-20(17)24-21(18)23(22(27)28-3,14-29-15(2)26)19(16)10-12-25/h5-8,13,16,19,24H,4,9-12,14H2,1-3H3/q+1/t16?,19-,23-/m0/s1
InChIKeyQXQMGTOURBIIKD-RUMUXARQSA-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)
dihydroprecondylocarpine acetate (CHEBI:142770) is a acetate ester (CHEBI:47622)
dihydroprecondylocarpine acetate (CHEBI:142770) is a methyl ester (CHEBI:25248)
dihydroprecondylocarpine acetate (CHEBI:142770) is a monoterpenoid indole alkaloid (CHEBI:65323)
dihydroprecondylocarpine acetate (CHEBI:142770) is a organic cation (CHEBI:25697)
dihydroprecondylocarpine acetate (CHEBI:142770) is a organic heterotetracyclic compound (CHEBI:38163)
IUPAC Name 
(6S,7S)-7-(acetoxymethyl)-5-ethyl-7-(methoxycarbonyl)-1,2,5,6,7,8-hexahydro-3,6-ethanoazonino[5,4-b]indol-3-ium
UniProt Name  Source
dihydroprecondylocarpine acetateUniProt
Manual XrefsDatabases
CPD-21550MetaCyc
Citations