EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:94585 - LSM-5476

ChEBI IDCHEBI:94585
ChEBI NameLSM-5476
Stars
DownloadsMolfile
FormulaC18H17ClO6
Net Charge0
Average Mass364.781
Monoisotopic Mass364.07137
SMILESC[C@@H]1C[C@@H]2O[C@H]2C=CC=CC(=O)Cc2c(Cl)c(O)cc(O)c2C(=O)O1
InChIInChI=1S/C18H17ClO6/c1-9-6-15-14(25-15)5-3-2-4-10(20)7-11-16(18(23)24-9)12(21)8-13(22)17(11)19/h2-5,8-9,14-15,21-22H,6-7H2,1H3/t9-,14+,15+/m1/s1
InChIKeyWYZWZEOGROVVHK-NKZPBKNFSA-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-5476 (CHEBI:94585) is a hydroxybenzoic acid (CHEBI:24676)
Manual XrefsDatabases
LSM-5476LINCS