EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:91516 - LSM-1300

ChEBI IDCHEBI:91516
ChEBI NameLSM-1300
Stars
DownloadsMolfile
FormulaC22H28N2O7S
Net Charge0
Average Mass464.540
Monoisotopic Mass464.16172
SMILESCCC(OC(=O)c1ccc(S(C)(=O)=O)c([N+](=O)[O-])c1)C(=O)NC1C2CC3CC(C2)CC1C3
InChIInChI=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)
InChIKeyOKEYLXGAJZVHLC-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-1300 (CHEBI:91516) is a nitrobenzoic acid (CHEBI:25553)
Manual XrefsDatabases
LSM-1300LINCS