EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:119462 - LSM-30911

ChEBI IDCHEBI:119462
ChEBI NameLSM-30911
Stars
DownloadsMolfile
FormulaC33H36N4O5S
Net Charge0
Average Mass600.741
Monoisotopic Mass600.24064
SMILESC[C@H](CO)N1C[C@H](C)[C@H](CN(C)S(=O)(=O)c2ccc(C#N)cc2)OCc2ccccc2-c2c(n(C)c3ccccc23)C1=O
InChIInChI=1S/C33H36N4O5S/c1-22-18-37(23(2)20-38)33(39)32-31(28-11-7-8-12-29(28)36(32)4)27-10-6-5-9-25(27)21-42-30(22)19-35(3)43(40,41)26-15-13-24(17-34)14-16-26/h5-16,22-23,30,38H,18-21H2,1-4H3/t22-,23+,30-/m0/s1
InChIKeyJOGVUONFALHXEE-BURCIIJTSA-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-30911 (CHEBI:119462) is a indolyl carboxylic acid (CHEBI:46867)
Manual XrefsDatabases
LSM-30911LINCS