CHEBI:94348 - LSM-5004

Main

ChEBI Ontology

Automatic Xrefs

Reactions

Pathways

Models

ChEBI Name LSM-5004 ChEBI ID CHEBI:94348 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 C46H62N4O11 Net Charge 0 Average Mass 847.006 Monoisotopic Mass 846.44151 InChI InChI=1S/C46H62N4O11/c1-12-24(4)50-19-17-46(18-20-50)48-34-31-32-39(54)28(8)42-33(31)43(56)45(10,61-42)59-21-16-30(58-11)25(5)41(60-29(9)51)27(7)38(53)26(6)37(52)22(2)14-13-15-23(3)44(57)47-36(40(32)55)35(34)49-46/h13-16,21-22,24-27,30,37-38,41,49,52-54H,12,17-20H2,1-11H3,(H,47,57)/t22-,24?,25+,26+,27+,30-,37-,38+,41+,45-/m0/s1 InChIKey KTYFUEQGJABZDI-OUQGXSTASA-N SMILES CCC(C)N1CCC2(CC1)NC3=C4C(=O)C5=C(C(=C6C(=C5C3=N2)C(=O)[C@](O6)(OC=C[C@@H]([C@H]([C@H]([C@@H]([C@@H]([C@@H]([C@H]([C@H](C=CC=C(C(=O)N4)C)C)O)C)O)C)OC(=O)C)C)OC)C)C)O ChEBI Ontology Outgoing LSM-5004 (CHEBI:94348) is a azamacrocycle (CHEBI:52898) LSM-5004 (CHEBI:94348) is a lactam (CHEBI:24995) Manual Xref Database LSM-5004 LINCS View more database links