CHEBI:105411 - LSM-16774

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ChEBI Name LSM-16774
ChEBI ID CHEBI:105411
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C27H26N2O5S
Net Charge 0
Average Mass 490.573
Monoisotopic Mass 490.15624
InChI InChI=1S/C27H26N2O5S/c1-2-34-27(33)22-18-5-3-4-6-19(18)35-24(22)28-23(30)14-9-11-17(12-10-14)29-25(31)20-15-7-8-16(13-15)21(20)26(29)32/h7-12,15-16,20-21H,2-6,13H2,1H3,(H,28,30)/t15-,16+,20+,21-
InChIKey FHWYVIJGQZWILE-IFCLKOLQSA-N
SMILES CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)C3=CC=C(C=C3)N4C(=O)[C@@H]5[C@@H]6C[C@H]([C@@H]5C4=O)C=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-16774 (CHEBI:105411) is a amidobenzoic acid (CHEBI:48470)
Manual Xref Database
LSM-16774 LINCS
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