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CHEBI:98215 - LSM-9594

Default Structure
ChEBI IDCHEBI:98215
ChEBI NameLSM-9594
Stars
DownloadsMolfile
FormulaC23H29N5O3
Net Charge0
Average Mass423.517
Monoisotopic Mass423.22704
SMILESO=C(NCC1CCCCC1)[C@@H]1[C@@H](CO)[C@@H]2Cn3c(ccc(-c4cncnc4)c3=O)[C@H]1N2
InChIInChI=1S/C23H29N5O3/c29-12-17-18-11-28-19(7-6-16(23(28)31)15-9-24-13-25-10-15)21(27-18)20(17)22(30)26-8-14-4-2-1-3-5-14/h6-7,9-10,13-14,17-18,20-21,27,29H,1-5,8,11-12H2,(H,26,30)/t17-,18-,20+,21+/m0/s1
InChIKeyCMFJQPXRJRRAOF-FMWKFLBASA-N
ChEBI Ontology
Outgoing Relation(s)
LSM-9594 (CHEBI:98215) has functional parent β-amino acid (CHEBI:33706)
LSM-9594 (CHEBI:98215) is a organonitrogen compound (CHEBI:35352)
LSM-9594 (CHEBI:98215) is a organooxygen compound (CHEBI:36963)
Manual XrefsDatabases
LSM-9594LINCS