CHEBI:102315 - LSM-13668

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ChEBI Name LSM-13668
ChEBI ID CHEBI:102315
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C27H30N2O5
Net Charge 0
Average Mass 462.539
Monoisotopic Mass 462.21547
InChI InChI=1S/C27H30N2O5/c1-34-27(33)24-21(16-30)20-15-28-22(23(20)29(24)26(32)18-9-5-6-10-18)14-13-19(25(28)31)12-11-17-7-3-2-4-8-17/h2-4,7-8,11-14,18,20-21,23-24,30H,5-6,9-10,15-16H2,1H3/t20-,21-,23+,24-/m1/s1
InChIKey SPQKGDIXEATJCL-CJTFWIGWSA-N
SMILES COC(=O)[C@H]1[C@@H]([C@H]2CN3C(=CC=C(C3=O)C=CC4=CC=CC=C4)[C@H]2N1C(=O)C5CCCC5)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-13668 (CHEBI:102315) is a N-acyl-amino acid (CHEBI:51569)
Manual Xref Database
LSM-13668 LINCS
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