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CHEBI:751998 - metergotamine

Default Structure
ChEBI IDCHEBI:751998
ChEBI Namemetergotamine
Stars
Last Modified29 June 2026
SubmitterChEMBL
DownloadsMolfile
FormulaC34H37N5O5
Net Charge0
Average Mass595.700
Monoisotopic Mass595.27947
SMILES[H][C@@]12Cc3cn(C)c4cccc(c34)C1=C[C@@H](C(=O)N[C@]1(C)O[C@]3(O)N(C1=O)[C@@H](Cc1ccccc1)C(=O)N1CCC[C@]13[H])CN2C
InChIInChI=1S/C34H37N5O5/c1-33(32(42)39-27(15-20-9-5-4-6-10-20)31(41)38-14-8-13-28(38)34(39,43)44-33)35-30(40)22-16-24-23-11-7-12-25-29(23)21(18-36(25)2)17-26(24)37(3)19-22/h4-7,9-12,16,18,22,26-28,43H,8,13-15,17,19H2,1-3H3,(H,35,40)/t22-,26-,27+,28+,33-,34+/m1/s1
InChIKeySZUQJDJBJHBVBO-CTTKVJGISA-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.
ChEBI Ontology
Outgoing Relation(s)
metergotamine (CHEBI:751998) is a peptide ergot alkaloid (CHEBI:25904)
INNs  Source
metergotaminaWHO MedNet
metergotamineWHO MedNet
Synonyms  Source
1-methylergotamineChEMBL
MethylergotamineChEMBL
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