CHEBI:119179 - LSM-30628

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ChEBI Name LSM-30628
ChEBI ID CHEBI:119179
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C33H37N3O4
Net Charge 0
Average Mass 539.666
Monoisotopic Mass 539.27841
InChI InChI=1S/C33H37N3O4/c1-22-18-36(23(2)20-37)33(39)31-30(27-16-10-11-17-28(27)35(31)4)26-15-9-8-14-25(26)21-40-29(22)19-34(3)32(38)24-12-6-5-7-13-24/h5-17,22-23,29,37H,18-21H2,1-4H3/t22-,23+,29+/m0/s1
InChIKey ULIRFODWPVJJJM-QFWOEDSFSA-N
SMILES C[C@H]1CN(C(=O)C2=C(C3=CC=CC=C3CO[C@@H]1CN(C)C(=O)C4=CC=CC=C4)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-30628 (CHEBI:119179) is a indolyl carboxylic acid (CHEBI:46867)
Manual Xref Database
LSM-30628 LINCS
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