CHEBI:101295 - LSM-12661

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ChEBI Name LSM-12661
ChEBI ID CHEBI:101295
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C27H33N3O3
Net Charge 0
Average Mass 447.570
Monoisotopic Mass 447.25219
InChI InChI=1S/C27H33N3O3/c1-2-29-23-17-30-22(14-13-20(26(30)32)12-11-19-9-5-3-6-10-19)25(29)24(21(23)18-31)27(33)28-15-7-4-8-16-28/h3,5-6,9-14,21,23-25,31H,2,4,7-8,15-18H2,1H3/t21-,23-,24+,25+/m1/s1
InChIKey YGSIRKPQRSDRAD-VGCGRUFVSA-N
SMILES CCN1[C@@H]2CN3C(=CC=C(C3=O)C=CC4=CC=CC=C4)[C@H]1[C@H]([C@@H]2CO)C(=O)N5CCCCC5
ChEBI Ontology
Outgoing LSM-12661 (CHEBI:101295) is a N-acylpiperidine (CHEBI:48591)
Manual Xref Database
LSM-12661 LINCS
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