EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:101162 - LSM-12531

ChEBI IDCHEBI:101162
ChEBI NameLSM-12531
Stars
DownloadsMolfile
FormulaC29H33N3O4
Net Charge0
Average Mass487.600
Monoisotopic Mass487.24711
SMILESC[C@H](CO)N1C[C@H](C)[C@@H](CN(C)C(=O)c2ccncc2)OCc2ccccc2-c2ccccc2C1=O
InChIInChI=1S/C29H33N3O4/c1-20-16-32(21(2)18-33)29(35)26-11-7-6-10-25(26)24-9-5-4-8-23(24)19-36-27(20)17-31(3)28(34)22-12-14-30-15-13-22/h4-15,20-21,27,33H,16-19H2,1-3H3/t20-,21+,27+/m0/s1
InChIKeyVHVNEVJWYRMESY-FYQCMVGJSA-N
ChEBI Ontology
Outgoing Relation(s)
LSM-12531 (CHEBI:101162) is a pyridinecarboxamide (CHEBI:25529)
Manual XrefsDatabases
LSM-12531LINCS