CHEBI:101412 - LSM-12775

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ChEBI Name LSM-12775
ChEBI ID CHEBI:101412
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C34H39N3O5
Net Charge 0
Average Mass 569.692
Monoisotopic Mass 569.28897
InChI InChI=1S/C34H39N3O5/c1-22-17-37(23(2)20-38)33(39)32-31(28-14-7-8-15-29(28)36(32)4)27-13-6-5-11-26(27)21-42-30(22)19-35(3)18-24-10-9-12-25(16-24)34(40)41/h5-16,22-23,30,38H,17-21H2,1-4H3,(H,40,41)/t22-,23+,30-/m0/s1
InChIKey LTECXWQWCPQLLD-BURCIIJTSA-N
SMILES C[C@H]1CN(C(=O)C2=C(C3=CC=CC=C3CO[C@H]1CN(C)CC4=CC=CC(=C4)C(=O)O)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-12775 (CHEBI:101412) is a indolyl carboxylic acid (CHEBI:46867)
Manual Xref Database
LSM-12775 LINCS
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