EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:97703 - LSM-9082

ChEBI IDCHEBI:97703
ChEBI NameLSM-9082
Stars
DownloadsMolfile
FormulaC32H36FN3O5S
Net Charge0
Average Mass593.721
Monoisotopic Mass593.23597
SMILESC[C@@H]1CN([C@@H](C)CO)C(=O)c2c(c3ccccc3n2C)-c2ccccc2CO[C@H]1CN(C)S(=O)(=O)c1cccc(F)c1
InChIInChI=1S/C32H36FN3O5S/c1-21-17-36(22(2)19-37)32(38)31-30(27-14-7-8-15-28(27)35(31)4)26-13-6-5-10-23(26)20-41-29(21)18-34(3)42(39,40)25-12-9-11-24(33)16-25/h5-16,21-22,29,37H,17-20H2,1-4H3/t21-,22+,29+/m1/s1
InChIKeyQBEIQJOXWRLXRW-BXOOBUKZSA-N
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
LSM-9082 (CHEBI:97703) is a indolyl carboxylic acid (CHEBI:46867)
Manual XrefsDatabases
LSM-9082LINCS