CHEBI:91966 - LSM-1920

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ChEBI Name LSM-1920
ChEBI ID CHEBI:91966
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C21H26N2O7S
Net Charge 0
Average Mass 450.507
Monoisotopic Mass 450.14607
InChI InChI=1S/C21H26N2O7S/c1-11(20(24)22-19-15-6-12-5-13(8-15)9-16(19)7-12)30-21(25)14-3-4-18(31(2,28)29)17(10-14)23(26)27/h3-4,10-13,15-16,19H,5-9H2,1-2H3,(H,22,24)
InChIKey NGWLUMJRYXLLMK-UHFFFAOYSA-N
SMILES CC(C(=O)NC1C2CC3CC1CC(C2)C3)OC(=O)C4=CC(=C(C=C4)S(=O)(=O)C)[N+](=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-1920 (CHEBI:91966) is a nitrobenzoic acid (CHEBI:25553)
Manual Xref Database
LSM-1920 LINCS
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