EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:99916 - LSM-11295

ChEBI IDCHEBI:99916
ChEBI NameLSM-11295
Stars
DownloadsMolfile
FormulaC33H37FN4O4
Net Charge0
Average Mass572.681
Monoisotopic Mass572.27988
SMILESC[C@@H]1CN([C@H](C)CO)C(=O)c2c(c3ccccc3n2C)-c2ccccc2CO[C@@H]1CN(C)C(=O)Nc1ccc(F)cc1
InChIInChI=1S/C33H37FN4O4/c1-21-17-38(22(2)19-39)32(40)31-30(27-11-7-8-12-28(27)37(31)4)26-10-6-5-9-23(26)20-42-29(21)18-36(3)33(41)35-25-15-13-24(34)14-16-25/h5-16,21-22,29,39H,17-20H2,1-4H3,(H,35,41)/t21-,22-,29-/m1/s1
InChIKeyHIWUQZOVKTUVHW-IEOSBIPESA-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-11295 (CHEBI:99916) is a indolyl carboxylic acid (CHEBI:46867)
Manual XrefsDatabases
LSM-11295LINCS