CHEBI:99589 - LSM-10968

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name LSM-10968
ChEBI ID CHEBI:99589
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C23H31N3O4
Net Charge 0
Average Mass 413.511
Monoisotopic Mass 413.23146
InChI InChI=1S/C23H31N3O4/c1-3-11-24-22(29)20-16(13-27)18-12-25-17(21(20)26(18)19(28)4-2)10-9-15(23(25)30)14-7-5-6-8-14/h7,9-10,16,18,20-21,27H,3-6,8,11-13H2,1-2H3,(H,24,29)/t16-,18-,20+,21+/m1/s1
InChIKey FTXRYBFBPIDHAK-LMQGHGSNSA-N
SMILES CCCNC(=O)[C@H]1[C@@H]([C@H]2CN3C(=CC=C(C3=O)C4=CCCC4)[C@@H]1N2C(=O)CC)CO
ChEBI Ontology
Outgoing LSM-10968 (CHEBI:99589) is a pyrrolidinecarboxamide (CHEBI:46770)
Manual Xref Database
LSM-10968 LINCS
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