EMBL-EBI | Chemical Biology | ChEBI
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| Formula | H2O4S.C46H58N4O9 |
| Net Charge | 0 |
| Average Mass | 909.068 |
| Monoisotopic Mass | 908.38776 |
| 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@@H](CC)C2O |
| InChI | InChI=1S/C46H58N4O9.H2O4S/c1-8-27-24-49-19-15-30-29-13-10-11-14-33(29)47-37(30)45(41(53)57-6,23-28(25-49)36(27)52)32-21-31-34(22-35(32)56-5)48(4)39-44(31)17-20-50-18-12-16-43(9-2,38(44)50)40(59-26(3)51)46(39,55)42(54)58-7;1-5(2,3)4/h10-14,16,21-22,27-28,36,38-40,47,52,55H,8-9,15,17-20,23-25H2,1-7H3;(H2,1,2,3,4)/t27-,28+,36?,38+,39-,40-,43-,44-,45+,46+;/m1./s1 |
| InChIKey | QYADLBKQBVCFGB-GFQBPGRNSA-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) |
| vinrosidine sulfate (CHEBI:756134) is a vinca alkaloid (CHEBI:27288) |
| Synonyms | Source |
|---|---|
| 36781 | ChEMBL |
| Vinrosidine sulfate | ChEMBL |
| Vinrosidine sulphate | ChEMBL |