EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:119671 - LSM-31117

Default Structure
ChEBI IDCHEBI:119671
ChEBI NameLSM-31117
Stars
DownloadsMolfile
FormulaC26H40N4O4
Net Charge0
Average Mass472.630
Monoisotopic Mass472.30496
SMILESCC=Cc1cnc2c(c1)C(=O)N([C@@H](C)CO)C[C@H](C)[C@@H](CN(C)C(=O)CCN1CCCCC1)O2
InChIInChI=1S/C26H40N4O4/c1-5-9-21-14-22-25(27-15-21)34-23(19(2)16-30(26(22)33)20(3)18-31)17-28(4)24(32)10-13-29-11-7-6-8-12-29/h5,9,14-15,19-20,23,31H,6-8,10-13,16-18H2,1-4H3/t19-,20-,23+/m0/s1
InChIKeyAUGWLIQQHVFMMW-SXWKCWPCSA-N
ChEBI Ontology
Outgoing Relation(s)
LSM-31117 (CHEBI:119671) has functional parent β-amino acid (CHEBI:33706)
LSM-31117 (CHEBI:119671) is a organonitrogen compound (CHEBI:35352)
LSM-31117 (CHEBI:119671) is a organooxygen compound (CHEBI:36963)
Manual XrefsDatabases
LSM-31117LINCS