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CHEBI:47515 - 3''-(BETA-CHLOROETHYL)-2'',4''-DIOXO-3, 5''-SPIRO-OXAZOLIDINO-4-DEACETOXY-VINBLASTINE
| Formula | C46H56ClN5O7 |
| Net Charge | 0 |
| Average Mass | 826.435 |
| Monoisotopic Mass | 825.38683 |
| SMILES | [H]O[C@]1(C([H])([H])C([H])([H])[H])C([H])([H])N2C([H])([H])C([H])([H])c3c(n([H])c4c([H])c([H])c([H])c([H])c34)[C@@](C(=O)OC([H])([H])[H])(c3c([H])c4c(c([H])c3OC([H])([H])[H])N(C([H])([H])[H])[C@]3([H])[C@]45C([H])([H])C([H])([H])N4C([H])([H])C([H])=C([H])[C@@](C([H])([H])C([H])([H])[H])(C([H])([H])[C@@]36OC(=O)N(C([H])([H])C([H])([H])Cl)C6=O)[C@]45[H])C([H])([H])[C@@]([H])(C2([H])[H])C1([H])[H] |
| InChI | InChI=1S/C46H56ClN5O7/c1-6-42-14-10-17-51-19-15-44(37(42)51)31-21-32(35(57-4)22-34(31)49(3)38(44)46(26-42)39(53)52(20-16-47)41(55)59-46)45(40(54)58-5)24-28-23-43(56,7-2)27-50(25-28)18-13-30-29-11-8-9-12-33(29)48-36(30)45/h8-12,14,21-22,28,37-38,48,56H,6-7,13,15-20,23-27H2,1-5H3/t28-,37-,38+,42-,43-,44+,45-,46+/m0/s1 |
| InChIKey | NUXKIZBEPYVRKP-RWBWKAGLSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 3''-(BETA-CHLOROETHYL)-2'',4''-DIOXO-3, 5''-SPIRO-OXAZOLIDINO-4-DEACETOXY-VINBLASTINE (CHEBI:47515) is a unclassifieds (CHEBI:27189) |
| Synonyms | Source |
|---|---|
| 3''-(BETA-CHLOROETHYL)-2'',4''-DIOXO-3, 5''-SPIRO-OXAZOLIDINO-4-DEACETOXY-VINBLASTINE | PDBeChem |
| methyl (5S,7R,9S)-9-[(3aR,5R,5aR,10bR,13aS)-3'-(2-chloroethyl)-3a-ethyl-8-methoxy-6-methyl-2',4'-dioxo-3a,5a,6,11,12,13a-hexahydro-1H,4H-spiro[indolizino[8,1-cd]carbazole-5,5'-[1,3]oxazolidin]-9-yl]-5-ethyl-5-hydroxy-1,4,5,6,7,8,9,10-octahydro-2H-3,7-methanoazacycloundecino[5,4-b]indole-9-carboxylate | PDBeChem |
| Manual Xrefs | Databases |
|---|---|
| KAR | PDBeChem |