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CHEBI:94829 - LSM-6041

ChEBI IDCHEBI:94829
ChEBI NameLSM-6041
Stars
DownloadsMolfile
Formula2C33H37N5O5
Net Charge0
Average Mass1167.378
Monoisotopic Mass1166.55894
SMILESCN1C[C@H](C(=O)N[C@]2(C)O[C@@]3(O)[C@@H]4CCCN4C(=O)[C@H](Cc4ccccc4)N3C2=O)CC2c3cccc4ncc(c34)C[C@@H]21.CN1C[C@H](C(=O)N[C@]2(C)O[C@@]3(O)[C@@H]4CCCN4C(=O)[C@H](Cc4ccccc4)N3C2=O)C[C@@H]2c3cccc4ncc(c34)C[C@@H]21
InChIInChI=1S/2C33H37N5O5/c2*1-32(35-29(39)21-15-23-22-10-6-11-24-28(22)20(17-34-24)16-25(23)36(2)18-21)31(41)38-26(14-19-8-4-3-5-9-19)30(40)37-13-7-12-27(37)33(38,42)43-32/h2*3-6,8-11,17,21,23,25-27,34,42H,7,12-16,18H2,1-2H3,(H,35,39)/t21-,23?,25+,26+,27+,32-,33+;21-,23-,25+,26+,27+,32-,33+/m11/s1
InChIKeyVZRYIVGWIWBKGL-ZLCNHMSUSA-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)
LSM-6041 (CHEBI:94829) is a peptide ergot alkaloid (CHEBI:25904)
Manual XrefsDatabases
LSM-6041LINCS