CHEBI:106139 - LSM-17500

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ChEBI Name LSM-17500
ChEBI ID CHEBI:106139
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C26H34N2O6S
Net Charge 0
Average Mass 502.625
Monoisotopic Mass 502.21376
InChI InChI=1S/C26H34N2O6S/c1-5-6-20-9-12-25-23(13-20)34-24(18(2)14-28(19(3)17-29)35(25,32)33)16-27(4)15-21-7-10-22(11-8-21)26(30)31/h5-13,18-19,24,29H,14-17H2,1-4H3,(H,30,31)/t18-,19+,24-/m1/s1
InChIKey HCERARMSZYIAOP-YDIMBITNSA-N
SMILES CC=CC1=CC2=C(C=C1)S(=O)(=O)N(C[C@H]([C@H](O2)CN(C)CC3=CC=C(C=C3)C(=O)O)C)[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-17500 (CHEBI:106139) is a benzoic acids (CHEBI:22723)
Manual Xref Database
LSM-17500 LINCS
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