CHEBI:119256 - LSM-30705

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ChEBI Name LSM-30705
ChEBI ID CHEBI:119256
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/c1-22-12-6-11-17-30(22)42(39,40)34(4)19-29-23(2)18-36(24(3)20-37)33(38)32-31(26-14-8-7-13-25(26)21-41-29)27-15-9-10-16-28(27)35(32)5/h6-17,23-24,29,37H,18-21H2,1-5H3/t23-,24+,29+/m0/s1
InChIKey IXIIOBNDFUZJEW-CTVOUCONSA-N
SMILES C[C@H]1CN(C(=O)C2=C(C3=CC=CC=C3CO[C@@H]1CN(C)S(=O)(=O)C4=CC=CC=C4C)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-30705 (CHEBI:119256) is a indolyl carboxylic acid (CHEBI:46867)
Manual Xref Database
LSM-30705 LINCS
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