CHEBI:94829 - LSM-6041

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ChEBI Name LSM-6041
ChEBI ID CHEBI:94829
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C66H74N10O10
Net Charge 0
Average Mass 1167.357
Monoisotopic Mass 1166.55894
InChI InChI=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
InChIKey VZRYIVGWIWBKGL-ZLCNHMSUSA-N
SMILES 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]5C[C@H]6[C@H](CC7=CNC8=CC=CC6=C78)N(C5)C.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-6041 (CHEBI:94829) is a peptide ergot alkaloid (CHEBI:25904)
Manual Xref Database
LSM-6041 LINCS
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