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CHEBI:98267 - LSM-9646

ChEBI IDCHEBI:98267
ChEBI NameLSM-9646
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DownloadsMolfile
FormulaC25H27N3O5
Net Charge0
Average Mass449.507
Monoisotopic Mass449.19507
SMILESO=C(O)[C@@H]1[C@@H](CO)[C@@H]2Cn3c(ccc(C4=CCCCC4)c3=O)[C@H]1N2C(=O)Cc1ccccn1
InChIInChI=1S/C25H27N3O5/c29-14-18-20-13-27-19(10-9-17(24(27)31)15-6-2-1-3-7-15)23(22(18)25(32)33)28(20)21(30)12-16-8-4-5-11-26-16/h4-6,8-11,18,20,22-23,29H,1-3,7,12-14H2,(H,32,33)/t18-,20-,22+,23+/m0/s1
InChIKeyOUKGSGKLYXRNMA-NEKRIBJYSA-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-9646 (CHEBI:98267) is a carboxylic acid (CHEBI:33575)
LSM-9646 (CHEBI:98267) is a pyrrolidinecarboxylic acid (CHEBI:46767)
Manual XrefsDatabases
LSM-9646LINCS