CHEBI:126636 - LSM-38199

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name LSM-38199
ChEBI ID CHEBI:126636
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C23H31N3O3
Net Charge 0
Average Mass 397.511
Monoisotopic Mass 397.23654
InChI InChI=1S/C23H31N3O3/c1-2-6-16-9-11-17(12-10-16)22-19-13-25(14-21(28)26(19)20(22)15-27)23(29)24-18-7-4-3-5-8-18/h2,6,9-12,18-20,22,27H,3-5,7-8,13-15H2,1H3,(H,24,29)/t19-,20-,22+/m0/s1
InChIKey ISKXUTOQGXNNDS-JAXLGGSGSA-N
SMILES CC=CC1=CC=C(C=C1)[C@@H]2[C@@H]3CN(CC(=O)N3[C@H]2CO)C(=O)NC4CCCCC4
ChEBI Ontology
Outgoing LSM-38199 (CHEBI:126636) is a azetidines (CHEBI:38777)
LSM-38199 (CHEBI:126636) is a benzenes (CHEBI:22712)
LSM-38199 (CHEBI:126636) is a ring assembly (CHEBI:36820)
Manual Xref Database
LSM-38199 LINCS
View more database links