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CHEBI:756139 - vinzolidine sulfate
| Formula | HCl.C48H58ClN5O9.H2O4S |
| Net Charge | 0 |
| Average Mass | 1019.011 |
| Monoisotopic Mass | 1017.33636 |
| SMILES | Cl.O=S(=O)(O)O.[H][C@@]12CN(CCc3c(nc4ccccc34)[C@@](C(=O)OC)(c3cc4c(cc3OC)N(C)[C@]3([H])[C@]45CCN4CC=C[C@@](CC)([C@@H](OC(C)=O)[C@@]36OC(=O)N(CCCl)C6=O)[C@]45[H])C1)C[C@](O)(CC)C2 |
| InChI | InChI=1S/C48H58ClN5O9.ClH.H2O4S/c1-7-44(59)24-29-25-47(42(57)61-6,37-31(14-19-52(26-29)27-44)30-12-9-10-13-34(30)50-37)33-22-32-35(23-36(33)60-5)51(4)39-46(32)16-20-53-18-11-15-45(8-2,38(46)53)40(62-28(3)55)48(39)41(56)54(21-17-49)43(58)63-48;;1-5(2,3)4/h9-13,15,22-23,29,38-40,50,59H,7-8,14,16-21,24-27H2,1-6H3;1H;(H2,1,2,3,4)/t29-,38-,39+,40+,44-,45+,46+,47-,48-;;/m0../s1 |
| InChIKey | UVQYUFZAKJOIEC-GUWHZBMESA-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) |
| vinzolidine sulfate (CHEBI:756139) is a vinca alkaloid (CHEBI:27288) |
| Synonyms | Source |
|---|---|
| LY-104208 | ChEMBL |
| LY104208 | ChEMBL |
| Vinzolidine sulfate | ChEMBL |
| Vinzolidine sulphate | ChEMBL |