CHEBI:132645 - mesaconine

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ChEBI Name mesaconine
ChEBI ID CHEBI:132645
Definition A diterpene alkaloid with formula C24H39NO9 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 (Bronsted 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 Waiting for 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