EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:101427 - LSM-12790

ChEBI IDCHEBI:101427
ChEBI NameLSM-12790
Stars
DownloadsMolfile
FormulaC29H33FN2O5S
Net Charge0
Average Mass540.657
Monoisotopic Mass540.20942
SMILESC[C@H](CO)N1C[C@H](C)[C@@H](CN(C)S(=O)(=O)c2cccc(F)c2)OCc2ccccc2-c2ccccc2C1=O
InChIInChI=1S/C29H33FN2O5S/c1-20-16-32(21(2)18-33)29(34)27-14-7-6-13-26(27)25-12-5-4-9-22(25)19-37-28(20)17-31(3)38(35,36)24-11-8-10-23(30)15-24/h4-15,20-21,28,33H,16-19H2,1-3H3/t20-,21+,28+/m0/s1
InChIKeyAPRVPIVHITUHLQ-BALWLHIASA-N
ChEBI Ontology
Outgoing Relation(s)
LSM-12790 (CHEBI:101427) is a sulfonamide (CHEBI:35358)
Manual XrefsDatabases
LSM-12790LINCS