CHEBI:101668 - LSM-13031

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name LSM-13031
ChEBI ID CHEBI:101668
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C25H35N3O6
Net Charge 0
Average Mass 473.563
Monoisotopic Mass 473.25259
InChI InChI=1S/C25H35N3O6/c1-16-21(32-5)14-28(3)25(30)19-8-6-7-17(13-26)23(19)33-15-22-20(31-4)10-9-18(34-22)11-12-27(2)24(16)29/h6-8,16,18,20-22H,9-12,14-15H2,1-5H3/t16-,18+,20+,21-,22+/m1/s1
InChIKey XYLRKRISJMFHFX-FEHPBONCSA-N
SMILES C[C@@H]1[C@@H](CN(C(=O)C2=CC=CC(=C2OC[C@H]3[C@H](CC[C@H](O3)CCN(C1=O)C)OC)C#N)C)OC
ChEBI Ontology
Outgoing LSM-13031 (CHEBI:101668) is a azamacrocycle (CHEBI:52898)
LSM-13031 (CHEBI:101668) is a lactam (CHEBI:24995)
Manual Xref Database
LSM-13031 LINCS
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