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CHEBI:100257 - LSM-11632

ChEBI IDCHEBI:100257
ChEBI NameLSM-11632
Stars
DownloadsMolfile
FormulaC23H26N4O4
Net Charge0
Average Mass422.485
Monoisotopic Mass422.19541
SMILESO=C([C@H]1[C@H](CO)[C@H]2Cn3c(cccc3=O)[C@@H]1N2C(=O)c1ccccn1)N1CCCCC1
InChIInChI=1S/C23H26N4O4/c28-14-15-18-13-26-17(8-6-9-19(26)29)21(20(15)23(31)25-11-4-1-5-12-25)27(18)22(30)16-7-2-3-10-24-16/h2-3,6-10,15,18,20-21,28H,1,4-5,11-14H2/t15-,18-,20+,21+/m1/s1
InChIKeyNNGWCWYYPXSIHJ-NXXWWENFSA-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-11632 (CHEBI:100257) is a aromatic carboxylic acid (CHEBI:33859)
LSM-11632 (CHEBI:100257) is a pyridinemonocarboxylic acid (CHEBI:26420)
Manual XrefsDatabases
LSM-11632LINCS