CHEBI:91830 - LSM-1746

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ChEBI Name LSM-1746
ChEBI ID CHEBI:91830
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C32H40BrN5O5
Net Charge 0
Average Mass 654.595
Monoisotopic Mass 653.22128
InChI InChI=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)
InChIKey OZVBMTJYIDMWIL-UHFFFAOYSA-N
SMILES CC(C)CC1C(=O)N2CCCC2C3(N1C(=O)C(O3)(C(C)C)NC(=O)C4CN(C5CC6=C(NC7=CC=CC(=C67)C5=C4)Br)C)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 LSM-1746 (CHEBI:91830) is a peptide ergot alkaloid (CHEBI:25904)
Manual Xref Database
LSM-1746 LINCS
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