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| Formula | C46H56N4O9.C46H56N4O9.H2O4S |
| Net Charge | 0 |
| Average Mass | 1716.025 |
| Monoisotopic Mass | 1714.77684 |
| SMILES | 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@]3(O)C(=O)OC)[C@]45[H])C1)C[C@]1(CC)O[C@]21[H].[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@]3(O)C(=O)OC)[C@]45[H])C1)C[C@]1(CC)O[C@]21[H] |
| InChI | InChI=1S/2C46H56N4O9.H2O4S/c2*1-8-42-16-12-18-50-20-17-44(37(42)50)30-21-31(34(55-5)22-33(30)48(4)38(44)46(54,41(53)57-7)39(42)58-26(3)51)45(40(52)56-6)23-27-24-49(25-43(9-2)36(27)59-43)19-15-29-28-13-10-11-14-32(28)47-35(29)45;1-5(2,3)4/h2*10-14,16,21-22,27,36-39,47,54H,8-9,15,17-20,23-25H2,1-7H3;(H2,1,2,3,4)/t2*27-,36+,37-,38+,39+,42+,43-,44+,45-,46-;/m00./s1 |
| InChIKey | YCWXIQRLONXJLF-FOVAWKNMSA-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) |
| vinleurosine sulfate (CHEBI:759842) is a vinca alkaloid (CHEBI:27288) |
| Synonyms | Source |
|---|---|
| 32645 | ChEMBL |
| Leurosine sulfate | ChEMBL |
| LILLY 32645 | ChEMBL |
| LY-32645 | ChEMBL |
| NSC-90636 | ChEMBL |
| Vinleurosine sulfate | ChEMBL |
| Citations |
|---|