CHEBI:102075 - LSM-13435

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name LSM-13435
ChEBI ID CHEBI:102075
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C23H31N3O5
Net Charge 0
Average Mass 429.510
Monoisotopic Mass 429.22637
InChI InChI=1S/C23H31N3O5/c1-25-12-5-8-21(27)26(2)15-20-19(29-3)10-9-17(31-20)11-13-30-22-16(14-24)6-4-7-18(22)23(25)28/h4,6-7,17,19-20H,5,8-13,15H2,1-3H3/t17-,19-,20+/m0/s1
InChIKey DXVJXLONGZUJOS-YSIASYRMSA-N
SMILES CN1CCCC(=O)N(C[C@@H]2[C@H](CC[C@H](O2)CCOC3=C(C=CC=C3C1=O)C#N)OC)C
ChEBI Ontology
Outgoing LSM-13435 (CHEBI:102075) is a azamacrocycle (CHEBI:52898)
LSM-13435 (CHEBI:102075) is a lactam (CHEBI:24995)
Manual Xref Database
LSM-13435 LINCS
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