CHEBI:100711 - LSM-12085

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ChEBI Name LSM-12085
ChEBI ID CHEBI:100711
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C35H41N3O5
Net Charge 0
Average Mass 583.718
Monoisotopic Mass 583.30462
InChI InChI=1S/C35H41N3O5/c1-23-19-38(24(2)21-39)34(40)32-31(28-17-11-12-18-29(28)37(32)4)27-16-10-9-15-26(27)22-43-30(23)20-36(3)35(41)33(42-5)25-13-7-6-8-14-25/h6-18,23-24,30,33,39H,19-22H2,1-5H3/t23-,24+,30+,33+/m1/s1
InChIKey ZXKFKEACMTVYCV-LPUCVJQBSA-N
SMILES C[C@@H]1CN(C(=O)C2=C(C3=CC=CC=C3CO[C@H]1CN(C)C(=O)[C@H](C4=CC=CC=C4)OC)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-12085 (CHEBI:100711) is a indolyl carboxylic acid (CHEBI:46867)
Manual Xref Database
LSM-12085 LINCS
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