EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:101295 - LSM-12661

ChEBI IDCHEBI:101295
ChEBI NameLSM-12661
Stars
DownloadsMolfile
FormulaC27H33N3O3
Net Charge0
Average Mass447.579
Monoisotopic Mass447.25219
SMILESCCN1[C@@H]2Cn3c(ccc(C=Cc4ccccc4)c3=O)[C@H]1[C@@H](C(=O)N1CCCCC1)[C@@H]2CO
InChIInChI=1S/C27H33N3O3/c1-2-29-23-17-30-22(14-13-20(26(30)32)12-11-19-9-5-3-6-10-19)25(29)24(21(23)18-31)27(33)28-15-7-4-8-16-28/h3,5-6,9-14,21,23-25,31H,2,4,7-8,15-18H2,1H3/t21-,23-,24+,25+/m1/s1
InChIKeyYGSIRKPQRSDRAD-VGCGRUFVSA-N
ChEBI Ontology
Outgoing Relation(s)
LSM-12661 (CHEBI:101295) is a N-acylpiperidine (CHEBI:48591)
Manual XrefsDatabases
LSM-12661LINCS