CHEBI:119166 - LSM-30615

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ChEBI Name LSM-30615
ChEBI ID CHEBI:119166
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C33H39N3O6S
Net Charge 0
Average Mass 605.747
Monoisotopic Mass 605.25596
InChI InChI=1S/C33H39N3O6S/c1-22-18-36(23(2)20-37)33(38)32-31(28-12-8-9-13-29(28)35(32)4)27-11-7-6-10-24(27)21-42-30(22)19-34(3)43(39,40)26-16-14-25(41-5)15-17-26/h6-17,22-23,30,37H,18-21H2,1-5H3/t22-,23-,30-/m0/s1
InChIKey GGYLTZASASDOIP-ZRLASMASSA-N
SMILES C[C@H]1CN(C(=O)C2=C(C3=CC=CC=C3CO[C@H]1CN(C)S(=O)(=O)C4=CC=C(C=C4)OC)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-30615 (CHEBI:119166) is a indolyl carboxylic acid (CHEBI:46867)
Manual Xref Database
LSM-30615 LINCS
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