CHEBI:119451 - LSM-30900

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ChEBI Name LSM-30900
ChEBI ID CHEBI:119451
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/c1-22-11-10-13-26(17-22)42(39,40)34(4)19-30-23(2)18-36(24(3)20-37)33(38)32-31(27-14-7-6-12-25(27)21-41-30)28-15-8-9-16-29(28)35(32)5/h6-17,23-24,30,37H,18-21H2,1-5H3/t23-,24+,30+/m1/s1
InChIKey IDJKSNHJPUPXKA-QEGDFHJFSA-N
SMILES C[C@@H]1CN(C(=O)C2=C(C3=CC=CC=C3CO[C@H]1CN(C)S(=O)(=O)C4=CC=CC(=C4)C)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-30900 (CHEBI:119451) is a indolyl carboxylic acid (CHEBI:46867)
Manual Xref Database
LSM-30900 LINCS
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