CHEBI:129440 - LSM-40991

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name LSM-40991
ChEBI ID CHEBI:129440
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C28H39N3O5
Net Charge 0
Average Mass 497.627
Monoisotopic Mass 497.28897
InChI InChI=1S/C28H39N3O5/c1-30-15-12-21-10-11-23(34-3)24(36-21)18-35-26-20(17-29)8-7-9-22(26)27(33)31(2)19-28(16-25(30)32)13-5-4-6-14-28/h7-9,21,23-24H,4-6,10-16,18-19H2,1-3H3/t21-,23-,24+/m1/s1
InChIKey USUYHJGFHZZIFO-JRFVFWCSSA-N
SMILES CN1CC[C@H]2CC[C@H]([C@@H](O2)COC3=C(C=CC=C3C(=O)N(CC4(CCCCC4)CC1=O)C)C#N)OC
ChEBI Ontology
Outgoing LSM-40991 (CHEBI:129440) is a aromatic ether (CHEBI:35618)
Manual Xref Database
LSM-40991 LINCS
View more database links