EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:119445 - LSM-30894

ChEBI IDCHEBI:119445
ChEBI NameLSM-30894
Stars
DownloadsMolfile
FormulaC31H36N2O5
Net Charge0
Average Mass516.638
Monoisotopic Mass516.26242
SMILESC[C@H](CO)N1C[C@H](C)[C@H](CN(C)Cc2ccc(C(=O)O)cc2)OCc2ccccc2-c2ccccc2C1=O
InChIInChI=1S/C31H36N2O5/c1-21-16-33(22(2)19-34)30(35)28-11-7-6-10-27(28)26-9-5-4-8-25(26)20-38-29(21)18-32(3)17-23-12-14-24(15-13-23)31(36)37/h4-15,21-22,29,34H,16-20H2,1-3H3,(H,36,37)/t21-,22+,29-/m0/s1
InChIKeyQLSXNEUKVNJNBQ-KERYWQKISA-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-30894 (CHEBI:119445) is a benzoic acids (CHEBI:22723)
Manual XrefsDatabases
LSM-30894LINCS