CHEBI:103020 - LSM-14366

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ChEBI Name LSM-14366
ChEBI ID CHEBI:103020
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(26-14-8-9-15-27(26)35(32)4)25-13-7-6-12-24(25)21-42-29(22)19-34(3)43(39,40)30-17-11-10-16-28(30)41-5/h6-17,22-23,29,37H,18-21H2,1-5H3/t22-,23-,29-/m0/s1
InChIKey VHDWJFVGOVHSLC-BOSRLCDASA-N
SMILES C[C@H]1CN(C(=O)C2=C(C3=CC=CC=C3CO[C@H]1CN(C)S(=O)(=O)C4=CC=CC=C4OC)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-14366 (CHEBI:103020) is a indolyl carboxylic acid (CHEBI:46867)
Manual Xref Database
LSM-14366 LINCS
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