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CHEBI:119452 - LSM-30901

ChEBI IDCHEBI:119452
ChEBI NameLSM-30901
Stars
DownloadsMolfile
FormulaC33H36FN3O4
Net Charge0
Average Mass557.666
Monoisotopic Mass557.26898
SMILESC[C@H]1CN([C@@H](C)CO)C(=O)c2c(c3ccccc3n2C)-c2ccccc2CO[C@@H]1CN(C)C(=O)c1ccc(F)cc1
InChIInChI=1S/C33H36FN3O4/c1-21-17-37(22(2)19-38)33(40)31-30(27-11-7-8-12-28(27)36(31)4)26-10-6-5-9-24(26)20-41-29(21)18-35(3)32(39)23-13-15-25(34)16-14-23/h5-16,21-22,29,38H,17-20H2,1-4H3/t21-,22-,29+/m0/s1
InChIKeyRTAWYMNQWKWMFE-IHMCZWCLSA-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-30901 (CHEBI:119452) is a indolyl carboxylic acid (CHEBI:46867)
Manual XrefsDatabases
LSM-30901LINCS