EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:99349 - LSM-10728

Default Structure
ChEBI IDCHEBI:99349
ChEBI NameLSM-10728
Stars
DownloadsMolfile
FormulaC31H36N2O4
Net Charge0
Average Mass500.639
Monoisotopic Mass500.26751
SMILESC[C@@H]1CN([C@@H](C)CO)C(=O)c2ccccc2-c2ccccc2CO[C@H]1CN(C)C(=O)Cc1ccccc1
InChIInChI=1S/C31H36N2O4/c1-22-18-33(23(2)20-34)31(36)28-16-10-9-15-27(28)26-14-8-7-13-25(26)21-37-29(22)19-32(3)30(35)17-24-11-5-4-6-12-24/h4-16,22-23,29,34H,17-21H2,1-3H3/t22-,23+,29+/m1/s1
InChIKeyVEXUQYCDGUTBQK-AFKLWXAFSA-N
ChEBI Ontology
Outgoing Relation(s)
LSM-10728 (CHEBI:99349) is a acetamides (CHEBI:22160)
Manual XrefsDatabases
LSM-10728LINCS