EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:95410 - LSM-6789

ChEBI IDCHEBI:95410
ChEBI NameLSM-6789
Stars
DownloadsMolfile
FormulaC26H33N3O5
Net Charge0
Average Mass467.566
Monoisotopic Mass467.24202
SMILESCC=Cc1cnc2c(c1)C(=O)N([C@@H](C)CO)C[C@H](C)[C@@H](CN(C)Cc1cccc(C(=O)O)c1)O2
InChIInChI=1S/C26H33N3O5/c1-5-7-19-11-22-24(27-12-19)34-23(17(2)13-29(25(22)31)18(3)16-30)15-28(4)14-20-8-6-9-21(10-20)26(32)33/h5-12,17-18,23,30H,13-16H2,1-4H3,(H,32,33)/t17-,18-,23+/m0/s1
InChIKeyFNIHZEFWPVWWQI-IUKKYPGJSA-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-6789 (CHEBI:95410) is a benzoic acids (CHEBI:22723)
Manual XrefsDatabases
LSM-6789LINCS