CHEBI:102238 - LSM-13594

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ChEBI Name LSM-13594
ChEBI ID CHEBI:102238
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C30H37N5O5S
Net Charge 0
Average Mass 579.713
Monoisotopic Mass 579.25154
InChI InChI=1S/C30H37N5O5S/c1-20-14-35(21(2)17-36)30(37)29-28(24-12-8-9-13-25(24)34(29)5)23-11-7-6-10-22(23)18-40-26(20)15-33(4)41(38,39)27-16-32(3)19-31-27/h6-13,16,19-21,26,36H,14-15,17-18H2,1-5H3/t20-,21-,26-/m0/s1
InChIKey NRKUZRFIJSCRHL-WOVHNISZSA-N
SMILES C[C@H]1CN(C(=O)C2=C(C3=CC=CC=C3CO[C@H]1CN(C)S(=O)(=O)C4=CN(C=N4)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-13594 (CHEBI:102238) is a indolyl carboxylic acid (CHEBI:46867)
Manual Xref Database
LSM-13594 LINCS
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