CHEBI:101135 - LSM-12504

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name LSM-12504
ChEBI ID CHEBI:101135
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C34H43N3O4
Net Charge 0
Average Mass 557.724
Monoisotopic Mass 557.32536
InChI InChI=1S/C34H43N3O4/c1-24-20-37(25(2)22-38)33(39)30-18-12-11-17-29(30)28-16-10-9-15-27(28)23-41-32(24)21-36(5)34(40)31(35(3)4)19-26-13-7-6-8-14-26/h6-18,24-25,31-32,38H,19-23H2,1-5H3/t24-,25+,31-,32-/m1/s1
InChIKey ZQFGNRPCSITOFH-JAORTXGNSA-N
SMILES C[C@@H]1CN(C(=O)C2=CC=CC=C2C3=CC=CC=C3CO[C@@H]1CN(C)C(=O)[C@@H](CC4=CC=CC=C4)N(C)C)[C@@H](C)CO
ChEBI Ontology
Outgoing LSM-12504 (CHEBI:101135) is a phenylalanine derivative (CHEBI:25985)
Manual Xref Database
LSM-12504 LINCS
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