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CHEBI:98164 - LSM-9543

ChEBI IDCHEBI:98164
ChEBI NameLSM-9543
Stars
DownloadsMolfile
FormulaC25H30N4O4
Net Charge0
Average Mass450.539
Monoisotopic Mass450.22671
SMILESO=C(NCC1CCCCC1)[C@H]1[C@H](CO)[C@H]2Cn3c(cccc3=O)[C@@H]1N2C(=O)c1cccnc1
InChIInChI=1S/C25H30N4O4/c30-15-18-20-14-28-19(9-4-10-21(28)31)23(29(20)25(33)17-8-5-11-26-13-17)22(18)24(32)27-12-16-6-2-1-3-7-16/h4-5,8-11,13,16,18,20,22-23,30H,1-3,6-7,12,14-15H2,(H,27,32)/t18-,20-,22+,23+/m1/s1
InChIKeyCJMOIVLGTXOFHT-SQMBMXPBSA-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-9543 (CHEBI:98164) is a aromatic carboxylic acid (CHEBI:33859)
LSM-9543 (CHEBI:98164) is a pyridinemonocarboxylic acid (CHEBI:26420)
Manual XrefsDatabases
LSM-9543LINCS