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CHEBI:91882 - LSM-1817

Default Structure
ChEBI IDCHEBI:91882
ChEBI NameLSM-1817
Stars
DownloadsMolfile
FormulaC32H40BrN5O5
Net Charge0
Average Mass654.606
Monoisotopic Mass653.22128
SMILESCC(C)CC1C(=O)N2CCC[C@H]2C2(O)O[C@](NC(=O)C3C=C4c5cccc6nc(Br)c(c56)C[C@H]4N(C)C3)(C(C)C)C(=O)N12
InChIInChI=1S/C32H40BrN5O5/c1-16(2)12-24-29(40)37-11-7-10-25(37)32(42)38(24)30(41)31(43-32,17(3)4)35-28(39)18-13-20-19-8-6-9-22-26(19)21(27(33)34-22)14-23(20)36(5)15-18/h6,8-9,13,16-18,23-25,34,42H,7,10-12,14-15H2,1-5H3,(H,35,39)/t18?,23-,24?,25+,31-,32?/m1/s1
InChIKeyOZVBMTJYIDMWIL-NXIPCUEUSA-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-1817 (CHEBI:91882) is a peptide ergot alkaloid (CHEBI:25904)
Manual XrefsDatabases
LSM-1817LINCS