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CHEBI:102154 - LSM-13513

ChEBI IDCHEBI:102154
ChEBI NameLSM-13513
Stars
DownloadsMolfile
FormulaC27H30N2O5
Net Charge0
Average Mass462.546
Monoisotopic Mass462.21547
SMILESCOC(=O)[C@@H]1[C@@H](CO)[C@@H]2Cn3c(ccc(C=Cc4ccccc4)c3=O)[C@@H]2N1C(=O)C1CCCC1
InChIInChI=1S/C27H30N2O5/c1-34-27(33)24-21(16-30)20-15-28-22(23(20)29(24)26(32)18-9-5-6-10-18)14-13-19(25(28)31)12-11-17-7-3-2-4-8-17/h2-4,7-8,11-14,18,20-21,23-24,30H,5-6,9-10,15-16H2,1H3/t20-,21-,23+,24-/m0/s1
InChIKeySPQKGDIXEATJCL-ZQRMPTRQSA-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-13513 (CHEBI:102154) is a N-acyl-amino acid (CHEBI:51569)
Manual XrefsDatabases
LSM-13513LINCS