CHEBI:102300 - LSM-13653

Main

ChEBI Ontology

Automatic Xrefs

Reactions

Pathways

Models

ChEBI Name LSM-13653 ChEBI ID CHEBI:102300 Stars This entity has been manually annotated by a third party. Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C25H36N4O4 Net Charge 0 Average Mass 456.579 Monoisotopic Mass 456.27366 InChI InChI=1S/C25H36N4O4/c30-16-19-20-15-29-21(8-7-18(25(29)32)17-5-2-1-3-6-17)23(27-20)22(19)24(31)26-9-4-10-28-11-13-33-14-12-28/h5,7-8,19-20,22-23,27,30H,1-4,6,9-16H2,(H,26,31)/t19-,20-,22+,23+/m0/s1 InChIKey QXIHUUSMHZUCPE-JFJDKTSWSA-N SMILES C1CCC(=CC1)C2=CC=C3[C@@H]4[C@@H]([C@H]([C@@H](N4)CN3C2=O)CO)C(=O)NCCCN5CCOCC5 ChEBI Ontology Outgoing LSM-13653 (CHEBI:102300) has functional parent β-amino acid (CHEBI:33706) LSM-13653 (CHEBI:102300) is a organonitrogen compound (CHEBI:35352) LSM-13653 (CHEBI:102300) is a organooxygen compound (CHEBI:36963) Manual Xref Database LSM-13653 LINCS View more database links