CHEBI:100915 - LSM-12289

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ChEBI Name LSM-12289
ChEBI ID CHEBI:100915
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C31H38N4O6S
Net Charge 0
Average Mass 594.724
Monoisotopic Mass 594.25121
InChI InChI=1S/C31H38N4O6S/c1-19-15-35(20(2)17-36)31(37)29-28(25-13-9-10-14-26(25)34(29)6)24-12-8-7-11-23(24)18-40-27(19)16-33(5)42(38,39)30-21(3)32-41-22(30)4/h7-14,19-20,27,36H,15-18H2,1-6H3/t19-,20+,27-/m1/s1
InChIKey HAVPCKYPPPKWEI-IOKPGSKQSA-N
SMILES C[C@@H]1CN(C(=O)C2=C(C3=CC=CC=C3CO[C@@H]1CN(C)S(=O)(=O)C4=C(ON=C4C)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-12289 (CHEBI:100915) is a indolyl carboxylic acid (CHEBI:46867)
Manual Xref Database
LSM-12289 LINCS
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