CHEBI:91516 - LSM-1300

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ChEBI Name LSM-1300
ChEBI ID CHEBI:91516
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C22H28N2O7S
Net Charge 0
Average Mass 464.534
Monoisotopic Mass 464.16172
InChI InChI=1S/C22H28N2O7S/c1-3-18(21(25)23-20-15-7-12-6-13(9-15)10-16(20)8-12)31-22(26)14-4-5-19(32(2,29)30)17(11-14)24(27)28/h4-5,11-13,15-16,18,20H,3,6-10H2,1-2H3,(H,23,25)
InChIKey OKEYLXGAJZVHLC-UHFFFAOYSA-N
SMILES CCC(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-1300 (CHEBI:91516) is a nitrobenzoic acid (CHEBI:25553)
Manual Xref Database
LSM-1300 LINCS
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