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CHEBI:98036 - LSM-9415

ChEBI IDCHEBI:98036
ChEBI NameLSM-9415
Stars
DownloadsMolfile
FormulaC27H30N4O5
Net Charge0
Average Mass490.560
Monoisotopic Mass490.22162
SMILESO=C([C@@H]1[C@@H](CO)[C@@H]2Cn3c(ccc(C4=CCCC4)c3=O)[C@H]1N2C(=O)c1ccncc1)N1CCOCC1
InChIInChI=1S/C27H30N4O5/c32-16-20-22-15-30-21(6-5-19(26(30)34)17-3-1-2-4-17)24(23(20)27(35)29-11-13-36-14-12-29)31(22)25(33)18-7-9-28-10-8-18/h3,5-10,20,22-24,32H,1-2,4,11-16H2/t20-,22-,23+,24+/m0/s1
InChIKeyCOTUBAWVYSPTNF-IQFVJIFQSA-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-9415 (CHEBI:98036) is a aromatic carboxylic acid (CHEBI:33859)
LSM-9415 (CHEBI:98036) is a pyridinemonocarboxylic acid (CHEBI:26420)
Manual XrefsDatabases
LSM-9415LINCS