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CHEBI:100875 - LSM-12249

ChEBI IDCHEBI:100875
ChEBI NameLSM-12249
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DownloadsMolfile
FormulaC27H35N3O3
Net Charge0
Average Mass449.595
Monoisotopic Mass449.26784
SMILESC[C@H](CO)N1C[C@H](C)[C@@H](CN(C)C)OCc2ccccc2-c2c(n(C)c3ccccc23)C1=O
InChIInChI=1S/C27H35N3O3/c1-18-14-30(19(2)16-31)27(32)26-25(22-12-8-9-13-23(22)29(26)5)21-11-7-6-10-20(21)17-33-24(18)15-28(3)4/h6-13,18-19,24,31H,14-17H2,1-5H3/t18-,19+,24+/m0/s1
InChIKeyWKBGSUAXJVLQSN-XLNZFTOWSA-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-12249 (CHEBI:100875) is a indolyl carboxylic acid (CHEBI:46867)
Manual XrefsDatabases
LSM-12249LINCS