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CHEBI:103103 - LSM-14448

ChEBI IDCHEBI:103103
ChEBI NameLSM-14448
Stars
DownloadsMolfile
FormulaC29H30N4O4
Net Charge0
Average Mass498.583
Monoisotopic Mass498.22671
SMILESCCCNC(=O)[C@@H]1[C@@H](CO)[C@@H]2Cn3c(ccc(C=Cc4ccccc4)c3=O)[C@H]1N2C(=O)c1ccncc1
InChIInChI=1S/C29H30N4O4/c1-2-14-31-27(35)25-22(18-34)24-17-32-23(26(25)33(24)29(37)21-12-15-30-16-13-21)11-10-20(28(32)36)9-8-19-6-4-3-5-7-19/h3-13,15-16,22,24-26,34H,2,14,17-18H2,1H3,(H,31,35)/t22-,24-,25+,26+/m0/s1
InChIKeyQXUUMNXHRNLNCE-ADXHGGABSA-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-14448 (CHEBI:103103) is a aromatic carboxylic acid (CHEBI:33859)
LSM-14448 (CHEBI:103103) is a pyridinemonocarboxylic acid (CHEBI:26420)
Manual XrefsDatabases
LSM-14448LINCS