EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:101706 - LSM-13069

ChEBI IDCHEBI:101706
ChEBI NameLSM-13069
Stars
DownloadsMolfile
FormulaC17H20N2O5
Net Charge0
Average Mass332.356
Monoisotopic Mass332.13722
SMILESCOC(=O)[C@@H]1[C@@H](CO)[C@@H]2Cn3c(cccc3=O)[C@H]1N2C(=O)C1CC1
InChIInChI=1S/C17H20N2O5/c1-24-17(23)14-10(8-20)12-7-18-11(3-2-4-13(18)21)15(14)19(12)16(22)9-5-6-9/h2-4,9-10,12,14-15,20H,5-8H2,1H3/t10-,12-,14+,15+/m0/s1
InChIKeyKUBNHDDGXKERLH-OBCWZRDOSA-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-13069 (CHEBI:101706) is a carboxylic acid (CHEBI:33575)
LSM-13069 (CHEBI:101706) is a pyrrolidinecarboxylic acid (CHEBI:46767)
Manual XrefsDatabases
LSM-13069LINCS