CHEBI:101349 - LSM-12714

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ChEBI Name LSM-12714
ChEBI ID CHEBI:101349
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C33H39N3O5S
Net Charge 0
Average Mass 589.747
Monoisotopic Mass 589.26104
InChI InChI=1S/C33H39N3O5S/c1-23-18-36(24(2)20-37)33(38)32-31(28-16-10-11-17-29(28)35(32)4)27-15-9-8-14-26(27)21-41-30(23)19-34(3)42(39,40)22-25-12-6-5-7-13-25/h5-17,23-24,30,37H,18-22H2,1-4H3/t23-,24-,30-/m0/s1
InChIKey LJWHPXFZVGGEPZ-JYUFKMNQSA-N
SMILES C[C@H]1CN(C(=O)C2=C(C3=CC=CC=C3CO[C@H]1CN(C)S(=O)(=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-12714 (CHEBI:101349) is a indolyl carboxylic acid (CHEBI:46867)
Manual Xref Database
LSM-12714 LINCS
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