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> Main
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
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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
)
View more via ChEBI Ontology
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
(6
S
,7
S
)-
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
View more database links
Citations
Types
Sources
29511102
PubMed citation
SUBMITTER
29724909
PubMed citation
SUBMITTER
30256480
PubMed citation
SUBMITTER
Last Modified
11 December 2018