CHEBI:96508 - LSM-7887

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ChEBI Name LSM-7887
ChEBI ID CHEBI:96508
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C26H33N3O5
Net Charge 0
Average Mass 467.558
Monoisotopic Mass 467.24202
InChI InChI=1S/C26H33N3O5/c1-5-7-19-11-22-24(27-12-19)34-23(17(2)13-29(25(22)31)18(3)16-30)15-28(4)14-20-8-6-9-21(10-20)26(32)33/h5-12,17-18,23,30H,13-16H2,1-4H3,(H,32,33)/t17-,18+,23-/m1/s1
InChIKey FNIHZEFWPVWWQI-IEGUWTFLSA-N
SMILES CC=CC1=CN=C2C(=C1)C(=O)N(C[C@H]([C@H](O2)CN(C)CC3=CC=CC(=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-7887 (CHEBI:96508) is a benzoic acids (CHEBI:22723)
Manual Xref Database
LSM-7887 LINCS
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