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CHEBI:98000 - LSM-9379

ChEBI IDCHEBI:98000
ChEBI NameLSM-9379
Stars
DownloadsMolfile
FormulaC33H39N3O5S
Net Charge0
Average Mass589.758
Monoisotopic Mass589.26104
SMILESC[C@@H]1CN([C@H](C)CO)C(=O)c2c(c3ccccc3n2C)-c2ccccc2CO[C@@H]1CN(C)S(=O)(=O)Cc1ccccc1
InChIInChI=1S/C33H39N3O5S/c1-23-18-36(24(2)20-37)33(38)32-31(28-16-10-11-17-29(28)35(32)4)27-15-9-8-14-26(27)21-41-30(23)19-34(3)42(39,40)22-25-12-6-5-7-13-25/h5-17,23-24,30,37H,18-22H2,1-4H3/t23-,24-,30-/m1/s1
InChIKeyLJWHPXFZVGGEPZ-BOYVUMAVSA-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-9379 (CHEBI:98000) is a indolyl carboxylic acid (CHEBI:46867)
Manual XrefsDatabases
LSM-9379LINCS