CHEBI:98641 - LSM-10020

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ChEBI Name LSM-10020
ChEBI ID CHEBI:98641
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C25H27N3O5
Net Charge 0
Average Mass 449.500
Monoisotopic Mass 449.19507
InChI InChI=1S/C25H27N3O5/c29-14-18-20-13-27-19(10-9-17(24(27)31)15-6-2-1-3-7-15)23(22(18)25(32)33)28(20)21(30)12-16-8-4-5-11-26-16/h4-6,8-11,18,20,22-23,29H,1-3,7,12-14H2,(H,32,33)/t18-,20-,22+,23+/m1/s1
InChIKey OUKGSGKLYXRNMA-SQMBMXPBSA-N
SMILES C1CCC(=CC1)C2=CC=C3[C@H]4[C@H]([C@@H]([C@H](N4C(=O)CC5=CC=CC=N5)CN3C2=O)CO)C(=O)O
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-10020 (CHEBI:98641) is a carboxylic acid (CHEBI:33575)
LSM-10020 (CHEBI:98641) is a pyrrolidinecarboxylic acid (CHEBI:46767)
Manual Xref Database
LSM-10020 LINCS
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