EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:128034 - LSM-39590

ChEBI IDCHEBI:128034
ChEBI NameLSM-39590
Stars
DownloadsMolfile
FormulaC22H26N2O3S
Net Charge0
Average Mass398.528
Monoisotopic Mass398.16641
SMILESCC=Cc1ccc2c(c1)[C@H]1[C@H](CCN1S(=O)(=O)c1ccc(C)cc1)[C@H](CO)N2
InChIInChI=1S/C22H26N2O3S/c1-3-4-16-7-10-20-19(13-16)22-18(21(14-25)23-20)11-12-24(22)28(26,27)17-8-5-15(2)6-9-17/h3-10,13,18,21-23,25H,11-12,14H2,1-2H3/t18-,21+,22-/m1/s1
InChIKeyOOFBFCVUWHAFML-BVYCBKJFSA-N
ChEBI Ontology
Outgoing Relation(s)
LSM-39590 (CHEBI:128034) is a pyrroloquinoline (CHEBI:50918)
Manual XrefsDatabases
LSM-39590LINCS