EMBL-EBI | Chemical Biology | ChEBI
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| Formula | C4H4O4.C26H36N2O3 |
| Net Charge | 0 |
| Average Mass | 540.657 |
| Monoisotopic Mass | 540.28355 |
| SMILES | O=C(O)/C=C\C(=O)O.[H][C@@]12Cc3cn(C(C)C)c4cccc(c34)[C@@]1([H])C[C@@H](C(=O)O[C@H]1CC[C@H](OC)CC1)CN2C |
| InChI | InChI=1S/C26H36N2O3.C4H4O4/c1-16(2)28-15-17-13-24-22(21-6-5-7-23(28)25(17)21)12-18(14-27(24)3)26(29)31-20-10-8-19(30-4)9-11-20;5-3(6)1-2-4(7)8/h5-7,15-16,18-20,22,24H,8-14H2,1-4H3;1-2H,(H,5,6)(H,7,8)/b;2-1-/t18-,19-,20-,22-,24-;/m1./s1 |
| InChIKey | AWRYUNKJBYLYFR-RTFBGVDVSA-N |
| Roles Classification |
|---|
| Biological Role: | metabolite Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| sergolexole maleate (CHEBI:756267) is a ergoline alkaloid (CHEBI:60529) |
| Synonyms | Source |
|---|---|
| LY-281067 | ChEMBL |
| LY281067 | ChEMBL |
| Sergolexole maleate | ChEMBL |