CHEBI:6894 - Methysergide maleate

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ChEBI Name Methysergide maleate
ChEBI ID CHEBI:6894
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formulae C21H27N3O2.C4H4O4
C25H31N3O6
Net Charge 0
Average Mass 469.531
Monoisotopic Mass 469.221
InChI InChI=1S/C21H27N3O2.C4H4O4/c1-4-15(12-25)22-21(26)14-8-17-16-6-5-7-18-20(16)13(10-23(18)2)9-19(17)24(3)11-14;5-3(6)1-2-4(7)8/h5-8,10,14-15,19,25H,4,9,11-12H2,1-3H3,(H,22,26);1-2H,(H,5,6)(H,7,8)/b;2-1-/t14-,15+,19-;/m1./s1
InChIKey LWYXFDXUMVEZKS-ZVFOLQIPSA-N
SMILES C1=2C=3C=4[C@](N(C[C@@H](C4)C(N[C@@H](CC)CO)=O)C)(CC1=CN(C2C=CC3)C)[H].C(=C\C(O)=O)\C(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 )
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ChEBI Ontology
Outgoing Methysergide maleate (CHEBI:6894) is a ergoline alkaloid (CHEBI:60529)
Synonyms Sources
Methysergide maleate KEGG COMPOUND
Sansert (TN) KEGG COMPOUND
Manual Xref Database
D00681 KEGG DRUG
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Registry Number Type Source
129-49-7 CAS Registry Number KEGG COMPOUND
Last Modified
06 March 2017