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CHEBI:102300 - LSM-13653

Default Structure
ChEBI IDCHEBI:102300
ChEBI NameLSM-13653
Stars
DownloadsMolfile
FormulaC25H36N4O4
Net Charge0
Average Mass456.587
Monoisotopic Mass456.27366
SMILESO=C(NCCCN1CCOCC1)[C@@H]1[C@@H](CO)[C@@H]2Cn3c(ccc(C4=CCCCC4)c3=O)[C@H]1N2
InChIInChI=1S/C25H36N4O4/c30-16-19-20-15-29-21(8-7-18(25(29)32)17-5-2-1-3-6-17)23(27-20)22(19)24(31)26-9-4-10-28-11-13-33-14-12-28/h5,7-8,19-20,22-23,27,30H,1-4,6,9-16H2,(H,26,31)/t19-,20-,22+,23+/m0/s1
InChIKeyQXIHUUSMHZUCPE-JFJDKTSWSA-N
ChEBI Ontology
Outgoing Relation(s)
LSM-13653 (CHEBI:102300) has functional parent β-amino acid (CHEBI:33706)
LSM-13653 (CHEBI:102300) is a organonitrogen compound (CHEBI:35352)
LSM-13653 (CHEBI:102300) is a organooxygen compound (CHEBI:36963)
Manual XrefsDatabases
LSM-13653LINCS