EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:101668 - LSM-13031

ChEBI IDCHEBI:101668
ChEBI NameLSM-13031
Stars
DownloadsMolfile
FormulaC25H35N3O6
Net Charge0
Average Mass473.570
Monoisotopic Mass473.25259
SMILESCO[C@H]1CC[C@H]2CCN(C)C(=O)[C@H](C)[C@H](OC)CN(C)C(=O)c3cccc(C#N)c3OC[C@@H]1O2
InChIInChI=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
InChIKeyXYLRKRISJMFHFX-FEHPBONCSA-N
ChEBI Ontology
Outgoing Relation(s)
LSM-13031 (CHEBI:101668) is a azamacrocycle (CHEBI:52898)
LSM-13031 (CHEBI:101668) is a lactam (CHEBI:24995)
Manual XrefsDatabases
LSM-13031LINCS