CHEBI:109452 - LSM-20850

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ChEBI Name LSM-20850
ChEBI ID CHEBI:109452
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C33H36FN3O5
Net Charge 0
Average Mass 573.656
Monoisotopic Mass 573.26390
InChI InChI=1S/C33H36FN3O5/c1-41-17-16-36-27-18-24-21-37(30(38)23-8-4-3-5-9-23)33(32(40)42-2,20-22-10-12-25(34)13-11-22)29(24)26(27)19-28(36)31(39)35-14-6-7-15-35/h3-5,8-13,19,24,29H,6-7,14-18,20-21H2,1-2H3/t24-,29+,33+/m0/s1
InChIKey KFRNSSKSYNGVQA-PICNGLBESA-N
SMILES COCCN1C2=C(C=C1C(=O)N3CCCC3)[C@H]4[C@@H](C2)CN([C@@]4(CC5=CC=C(C=C5)F)C(=O)OC)C(=O)C6=CC=CC=C6
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-20850 (CHEBI:109452) is a N-acyl-amino acid (CHEBI:51569)
Manual Xref Database
LSM-20850 LINCS
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