CHEBI:100587 - LSM-11961

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name LSM-11961
ChEBI ID CHEBI:100587
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C26H29N3O3
Net Charge 0
Average Mass 431.528
Monoisotopic Mass 431.22089
InChI InChI=1S/C26H29N3O3/c30-14-20-21-13-29-22(10-9-19(26(29)32)15-5-1-2-6-15)24(28-21)23(20)25(31)27-18-11-16-7-3-4-8-17(16)12-18/h3-5,7-10,18,20-21,23-24,28,30H,1-2,6,11-14H2,(H,27,31)/t20-,21-,23+,24+/m0/s1
InChIKey OCQMLVVPVHYQPL-NEUULRRLSA-N
SMILES C1CC=C(C1)C2=CC=C3[C@@H]4[C@@H]([C@H]([C@@H](N4)CN3C2=O)CO)C(=O)NC5CC6=CC=CC=C6C5
ChEBI Ontology
Outgoing LSM-11961 (CHEBI:100587) has functional parent β-amino acid (CHEBI:33706)
LSM-11961 (CHEBI:100587) is a organonitrogen compound (CHEBI:35352)
LSM-11961 (CHEBI:100587) is a organooxygen compound (CHEBI:36963)
Manual Xref Database
LSM-11961 LINCS
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