EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:99666 - LSM-11045

ChEBI IDCHEBI:99666
ChEBI NameLSM-11045
Stars
DownloadsMolfile
FormulaC26H28N4O3
Net Charge0
Average Mass444.535
Monoisotopic Mass444.21614
SMILESO=C(NCCc1ccccc1)[C@@H]1[C@@H](CO)[C@@H]2Cn3c(cccc3=O)[C@H]1N2Cc1ccccn1
InChIInChI=1S/C26H28N4O3/c31-17-20-22-16-29-21(10-6-11-23(29)32)25(30(22)15-19-9-4-5-13-27-19)24(20)26(33)28-14-12-18-7-2-1-3-8-18/h1-11,13,20,22,24-25,31H,12,14-17H2,(H,28,33)/t20-,22-,24+,25+/m0/s1
InChIKeyZMVBPFYUTZNCSY-MMTHZHQFSA-N
ChEBI Ontology
Outgoing Relation(s)
LSM-11045 (CHEBI:99666) is a pyrrolidinecarboxamide (CHEBI:46770)
Manual XrefsDatabases
LSM-11045LINCS