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ChEBI
> Main
CHEBI:132645 - mesaconine
Main
ChEBI Ontology
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ChEBI Name
mesaconine
ChEBI ID
CHEBI:132645
Definition
A diterpene alkaloid with formula C
24
H
39
NO
9
that is isolated from the roots of
Aconitum carmichaelii
.
Stars
This entity has been manually annotated by the ChEBI Team.
Submitter
qingping liu
Supplier Information
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Formula
C24H39NO9
Net Charge
0
Average Mass
485.569
Monoisotopic Mass
485.26248
InChI
InChI=1S/C24H39NO9/c1-
25-
8-
21(9-
31-
2)
11(26)
6-
12(32-
3)
23-
10-
7-
22(29)
18(27)
13(10)
24(30,19(28)
20(22)
34-
5)
14(17(23)
25)
15(33-
4)
16(21)
23/h10-
20,26-
30H,6-
9H2,1-
5H3/t10-
,11-
,12+,13-
,14+,15+,16-
,17?,18-
,19+,20+,21+,22-
,23+,24-
/m1/s1
InChIKey
GQRPJUIKGLHLLN-VSTHTWNCSA-N
SMILES
[C@@]
123C4[C@@]
([C@]
5([C@H]
([C@@H]
([C@]
6(C[C@@]
1([C@@]
5([C@H]
6O)
[H]
)
[H]
)
O)
OC)
O)
O)
([C@@H]
([C@@]
2([C@]
([C@@H]
(C[C@@H]
3OC)
O)
(COC)
CN4C)
[H]
)
OC)
[H]
Metabolite of Species
Details
Aconitum carmichaelii
(NCBI:txid85363)
Found in root
(BTO:0001188)
. See:
PubMed
Roles Classification
Chemical Role
(s):
Bronsted base
A molecular entity capable of accepting a hydron from a donor (Br
o
nsted acid).
(via
organic amino compound
)
Biological Role
(s):
plant metabolite
Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
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
mesaconine (
CHEBI:132645
)
has parent hydride
aconitane (
CHEBI:35911
)
mesaconine (
CHEBI:132645
)
has role
plant metabolite (
CHEBI:76924
)
mesaconine (
CHEBI:132645
)
is a
bridged compound (
CHEBI:35990
)
mesaconine (
CHEBI:132645
)
is a
diterpene alkaloid (
CHEBI:23847
)
mesaconine (
CHEBI:132645
)
is a
organic heteropolycyclic compound (
CHEBI:38166
)
mesaconine (
CHEBI:132645
)
is a
pentol (
CHEBI:37205
)
mesaconine (
CHEBI:132645
)
is a
polyether (
CHEBI:46774
)
mesaconine (
CHEBI:132645
)
is a
secondary alcohol (
CHEBI:35681
)
mesaconine (
CHEBI:132645
)
is a
tertiary alcohol (
CHEBI:26878
)
mesaconine (
CHEBI:132645
)
is a
tertiary amino compound (
CHEBI:50996
)
IUPAC Name
1α,6α,16β-
trimethoxy-
4-
(methoxymethyl)-
20-
methylaconitane-
3α,8,13,14α,15α-
pentol
Synonym
Source
(1α,3α,6α,14α,15α,16β)-
1,6,16-
trimethoxy-
4-
(methoxymethyl)-
20-
methylaconitane-
3,8,13,14,15-
pentol
IUPAC
Manual Xref
Database
101671037
PubChem
View more database links
Registry Numbers
Types
Sources
21630205
Reaxys Registry Number
Reaxys
59256
Reaxys Registry Number
Reaxys
Citations
Types
Sources
22188409
PubMed citation
Europe PMC
22223386
PubMed citation
Europe PMC
22342149
PubMed citation
Europe PMC
22816290
PubMed citation
Europe PMC
23200901
PubMed citation
Europe PMC
25744397
PubMed citation
Europe PMC
25898581
PubMed citation
Europe PMC
26390658
PubMed citation
Europe PMC
27048641
PubMed citation
Europe PMC
27771457
PubMed citation
Europe PMC
644241
Chinese Abstracts citation
Europe PMC
Last Modified
25 November 2016