EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:101409 - LSM-12772

ChEBI IDCHEBI:101409
ChEBI NameLSM-12772
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)c3cc(C#N)ccc3OC[C@H]1O2
InChIInChI=1S/C25H35N3O6/c1-16-22(32-5)14-28(3)25(30)19-12-17(13-26)6-8-20(19)33-15-23-21(31-4)9-7-18(34-23)10-11-27(2)24(16)29/h6,8,12,16,18,21-23H,7,9-11,14-15H2,1-5H3/t16-,18-,21+,22+,23-/m1/s1
InChIKeyYDHXSWOLXDIZHC-CIGBUEHFSA-N
ChEBI Ontology
Outgoing Relation(s)
LSM-12772 (CHEBI:101409) is a azamacrocycle (CHEBI:52898)
LSM-12772 (CHEBI:101409) is a lactam (CHEBI:24995)
Manual XrefsDatabases
LSM-12772LINCS