CHEBI:95590 - LSM-6969

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name LSM-6969
ChEBI ID CHEBI:95590
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C22H31N5O5S
Net Charge 0
Average Mass 477.579
Monoisotopic Mass 477.20459
InChI InChI=1S/C22H31N5O5S/c1-6-7-17-8-18-21(23-9-17)32-19(15(2)10-27(22(18)29)16(3)13-28)11-26(5)33(30,31)20-12-25(4)14-24-20/h6-9,12,14-16,19,28H,10-11,13H2,1-5H3/t15-,16-,19-/m1/s1
InChIKey KGPKEHLIXQTDQP-GPMSIDNRSA-N
SMILES CC=CC1=CN=C2C(=C1)C(=O)N(C[C@H]([C@H](O2)CN(C)S(=O)(=O)C3=CN(C=N3)C)C)[C@H](C)CO
ChEBI Ontology
Outgoing LSM-6969 (CHEBI:95590) is a aromatic ether (CHEBI:35618)
Manual Xref Database
LSM-6969 LINCS
View more database links