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CHEBI:91805 - LSM-1707

ChEBI IDCHEBI:91805
ChEBI NameLSM-1707
Stars
DownloadsMolfile
FormulaC35H41N5O5
Net Charge0
Average Mass611.743
Monoisotopic Mass611.31077
SMILESCC(C)[C@@]1(NC(=O)[C@@H]2CC3c4cccc5ncc(c45)C[C@H]3N(C)C2)O[C@@]2(O)[C@@H]3CCCN3C(=O)[C@H](Cc3ccccc3)N2C1=O
InChIInChI=1S/C35H41N5O5/c1-20(2)34(37-31(41)23-16-25-24-11-7-12-26-30(24)22(18-36-26)17-27(25)38(3)19-23)33(43)40-28(15-21-9-5-4-6-10-21)32(42)39-14-8-13-29(39)35(40,44)45-34/h4-7,9-12,18,20,23,25,27-29,36,44H,8,13-17,19H2,1-3H3,(H,37,41)/t23-,25?,27-,28+,29+,34-,35+/m1/s1
InChIKeyDEQITUUQPICUMR-DLVWBKJWSA-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-1707 (CHEBI:91805) is a peptide ergot alkaloid (CHEBI:25904)
Manual XrefsDatabases
LSM-1707LINCS