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ChEBI
> Main
CHEBI:6874 - Methylergonovine Maleate
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ChEBI Ontology
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ChEBI Name
Methylergonovine Maleate
ChEBI ID
CHEBI:6874
Stars
This entity has been manually annotated by a third party.
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Formulae
C20H25N3O2
C20H25N3O2.C4H4O4
C24H29N3O6
Net Charge
0
Average Mass
455.504
Monoisotopic Mass
455.20564
InChI
InChI=1S/C20H25N3O2.C4H4O4/c1-
3-
14(11-
24)
22-
20(25)
13-
7-
16-
15-
5-
4-
6-
17-
19(15)
12(9-
21-
17)
8-
18(16)
23(2)
10-
13;5-
3(6)
1-
2-
4(7)
8/h4-
7,9,13-
14,18,21,24H,3,8,10-
11H2,1-
2H3,(H,22,25)
;1-
2H,(H,5,6)
(H,7,8)
/b;2-
1-
/t13-
,14+,18-
;/m1./s1
InChIKey
NOFOWWRHEPHDCY-DAUURJMHSA-N
SMILES
C1=2C=3C=4[C@](N(C[C@@H](C4)C(N[C@@H](CC)CO)=O)C)(CC1=CNC2C=CC3)[H].C(/C=C\C(O)=O)(O)=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
)
Application
(s):
geroprotector
Any compound that supports healthy aging, slows the biological aging process, or extends lifespan.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
Methylergonovine Maleate (
CHEBI:6874
)
has role
geroprotector (
CHEBI:176497
)
Methylergonovine Maleate (
CHEBI:6874
)
is a
ergoline alkaloid (
CHEBI:60529
)
Synonyms
Sources
Methylergometrine maleate
KEGG COMPOUND
Methylergonovine maleate
KEGG COMPOUND
Manual Xrefs
Databases
C07800
KEGG COMPOUND
D00680
KEGG DRUG
View more database links
Registry Numbers
Types
Sources
113-42-8
CAS Registry Number
KEGG COMPOUND
57432-61-8
CAS Registry Number
KEGG COMPOUND
Citation
Type
Source
24134630
PubMed citation
Europe PMC
Last Modified
26 October 2021