CHEBI:142770 - dihydroprecondylocarpine acetate

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ChEBI Name dihydroprecondylocarpine acetate
ChEBI ID CHEBI:142770
Definition An organic cation which is an intermediate in the biosynthetic pathway leading to the synthesis of the monoterpenoid indole alkaloids, catharanthine and tabersonine.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter Kristian Axelsen
Supplier Information
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Formula C23H29N2O4
Net Charge +1
Average Mass 397.488
Monoisotopic Mass 397.21218
InChI InChI=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
InChIKey QXQMGTOURBIIKD-RUMUXARQSA-N
SMILES C12=C(C=CC=C1)NC=3[C@]([C@@]4(C(C=[N+](CC4)CCC32)CC)[H])(C(=O)OC)COC(C)=O
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 )
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ChEBI Ontology
Outgoing 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
Synonym Source
dihydroprecondylocarpine acetate UniProt
Manual Xref Database
CPD-21550 MetaCyc
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Citations Waiting for Citations Types Sources
29511102 PubMed citation SUBMITTER
29724909 PubMed citation SUBMITTER
30256480 PubMed citation SUBMITTER
Last Modified
11 December 2018