CHEBI:91805 - LSM-1707

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ChEBI Name LSM-1707
ChEBI ID CHEBI:91805
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C35H41N5O5
Net Charge 0
Average Mass 611.732
Monoisotopic Mass 611.31077
InChI InChI=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
InChIKey DEQITUUQPICUMR-DLVWBKJWSA-N
SMILES CC(C)[C@@]1(C(=O)N2[C@H](C(=O)N3CCC[C@H]3[C@@]2(O1)O)CC4=CC=CC=C4)NC(=O)[C@@H]5CC6[C@@H](CC7=CNC8=CC=CC6=C78)N(C5)C
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-1707 (CHEBI:91805) is a peptide ergot alkaloid (CHEBI:25904)
Manual Xref Database
LSM-1707 LINCS
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