EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:91966 - LSM-1920

ChEBI IDCHEBI:91966
ChEBI NameLSM-1920
Stars
DownloadsMolfile
FormulaC21H26N2O7S
Net Charge0
Average Mass450.513
Monoisotopic Mass450.14607
SMILESCC(OC(=O)c1ccc(S(C)(=O)=O)c([N+](=O)[O-])c1)C(=O)NC1C2CC3CC(C2)CC1C3
InChIInChI=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)
InChIKeyNGWLUMJRYXLLMK-UHFFFAOYSA-N
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
LSM-1920 (CHEBI:91966) is a nitrobenzoic acid (CHEBI:25553)
Manual XrefsDatabases
LSM-1920LINCS