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CHEBI:98457 - LSM-9836

Default Structure
ChEBI IDCHEBI:98457
ChEBI NameLSM-9836
Stars
DownloadsMolfile
FormulaC29H35N3O3
Net Charge0
Average Mass473.617
Monoisotopic Mass473.26784
SMILESC[C@H](CO)N1C[C@H](C)[C@@H](CN(C)Cc2cccnc2)OCc2ccccc2-c2ccccc2C1=O
InChIInChI=1S/C29H35N3O3/c1-21-16-32(22(2)19-33)29(34)27-13-7-6-12-26(27)25-11-5-4-10-24(25)20-35-28(21)18-31(3)17-23-9-8-14-30-15-23/h4-15,21-22,28,33H,16-20H2,1-3H3/t21-,22+,28+/m0/s1
InChIKeyJEKWQBVWBTUQQJ-PFPZSTESSA-N
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
LSM-9836 (CHEBI:98457) is a aralkylamine (CHEBI:18000)
Manual XrefsDatabases
LSM-9836LINCS