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CHEBI:103278 - LSM-14622

ChEBI IDCHEBI:103278
ChEBI NameLSM-14622
Stars
DownloadsMolfile
FormulaC25H28N4O4
Net Charge0
Average Mass448.523
Monoisotopic Mass448.21106
SMILESCC=Cc1ccc2n(c1=O)C[C@@H]1[C@@H](CO)[C@H](C(=O)NC3CCC3)[C@H]2N1C(=O)c1ccccn1
InChIInChI=1S/C25H28N4O4/c1-2-6-15-10-11-19-22-21(23(31)27-16-7-5-8-16)17(14-30)20(13-28(19)24(15)32)29(22)25(33)18-9-3-4-12-26-18/h2-4,6,9-12,16-17,20-22,30H,5,7-8,13-14H2,1H3,(H,27,31)/t17-,20-,21+,22+/m1/s1
InChIKeyRQFILIGFJPUTQD-GFRNBQLOSA-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-14622 (CHEBI:103278) is a aromatic carboxylic acid (CHEBI:33859)
LSM-14622 (CHEBI:103278) is a pyridinemonocarboxylic acid (CHEBI:26420)
Manual XrefsDatabases
LSM-14622LINCS