CHEBI:102913 - LSM-14259

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ChEBI Name LSM-14259
ChEBI ID CHEBI:102913
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C29H30N4O4
Net Charge 0
Average Mass 498.574
Monoisotopic Mass 498.22671
InChI InChI=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+/m1/s1
InChIKey QXUUMNXHRNLNCE-BPHNFWMXSA-N
SMILES CCCNC(=O)[C@H]1[C@@H]([C@H]2CN3C(=CC=C(C3=O)C=CC4=CC=CC=C4)[C@@H]1N2C(=O)C5=CC=NC=C5)CO
Roles Classification
Chemical Role(s): Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
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ChEBI Ontology
Outgoing LSM-14259 (CHEBI:102913) is a aromatic carboxylic acid (CHEBI:33859)
LSM-14259 (CHEBI:102913) is a pyridinemonocarboxylic acid (CHEBI:26420)
Manual Xref Database
LSM-14259 LINCS
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