CHEBI:100471 - LSM-11845

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ChEBI Name LSM-11845
ChEBI ID CHEBI:100471
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C34H39N3O4
Net Charge 0
Average Mass 553.692
Monoisotopic Mass 553.29406
InChI InChI=1S/C34H39N3O4/c1-23-19-37(24(2)21-38)34(40)33-32(28-16-10-11-17-29(28)36(33)4)27-15-9-8-14-26(27)22-41-30(23)20-35(3)31(39)18-25-12-6-5-7-13-25/h5-17,23-24,30,38H,18-22H2,1-4H3/t23-,24+,30+/m1/s1
InChIKey BENJSVFNXVDSQO-QEGDFHJFSA-N
SMILES C[C@@H]1CN(C(=O)C2=C(C3=CC=CC=C3CO[C@H]1CN(C)C(=O)CC4=CC=CC=C4)C5=CC=CC=C5N2C)[C@@H](C)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-11845 (CHEBI:100471) is a indolyl carboxylic acid (CHEBI:46867)
Manual Xref Database
LSM-11845 LINCS
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