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CHEBI:6874 - Methylergonovine Maleate

ChEBI IDCHEBI:6874
ChEBI NameMethylergonovine Maleate
Stars
Last Modified26 October 2021
DownloadsMolfile
FormulaC20H25N3O2.C4H4O4
Net Charge0
Average Mass455.511
Monoisotopic Mass455.20564
SMILESO=C(O)/C=C\C(=O)O.[H][C@@]12Cc3cnc4cccc(c34)C1=C[C@@H](C(=O)N[C@@H](CC)CO)CN2C
InChIInChI=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
InChIKeyNOFOWWRHEPHDCY-DAUURJMHSA-N
Roles Classification
Biological Role:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
Application:
geroprotector  Any compound that supports healthy aging, slows the biological aging process, or extends lifespan.
ChEBI Ontology
Outgoing Relation(s)
Methylergonovine Maleate (CHEBI:6874) has role geroprotector (CHEBI:176497)
Methylergonovine Maleate (CHEBI:6874) is a ergoline alkaloid (CHEBI:60529)
Synonyms  Source
Methylergometrine maleateKEGG COMPOUND
Methylergonovine maleateKEGG COMPOUND
Manual XrefsDatabases
C07800KEGG COMPOUND
D00680KEGG DRUG
Registry NumbersSources
CAS:113-42-8KEGG COMPOUND
CAS:57432-61-8KEGG COMPOUND
Citations