EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:102052 - LSM-13412

ChEBI IDCHEBI:102052
ChEBI NameLSM-13412
Stars
DownloadsMolfile
FormulaC22H29N3O5
Net Charge0
Average Mass415.490
Monoisotopic Mass415.21072
SMILESCO[C@@H]1CC[C@H]2CCOc3c(C#N)cccc3C(=O)N(C)[C@@H](C)C(=O)N(C)C[C@H]1O2
InChIInChI=1S/C22H29N3O5/c1-14-21(26)24(2)13-19-18(28-4)9-8-16(30-19)10-11-29-20-15(12-23)6-5-7-17(20)22(27)25(14)3/h5-7,14,16,18-19H,8-11,13H2,1-4H3/t14-,16-,18+,19+/m0/s1
InChIKeyLYYREMJMDQKNES-IAAVTCLWSA-N
ChEBI Ontology
Outgoing Relation(s)
LSM-13412 (CHEBI:102052) is a azamacrocycle (CHEBI:52898)
LSM-13412 (CHEBI:102052) is a lactam (CHEBI:24995)
Manual XrefsDatabases
LSM-13412LINCS