EMBL-EBI | Chemical Biology | ChEBI
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| Formula | C54H94O38 |
| Net Charge | 0 |
| Average Mass | 1351.308 |
| Monoisotopic Mass | 1350.54231 |
| SMILES | [H][C@]12O[C@H](COCC(C)O)[C@]([H])(C[C@H]1O)O[C@@]1([H])O[C@H](COCC(C)O)[C@@]([H])(O[C@@]3([H])O[C@H](CO)[C@@]([H])(O[C@@]4([H])O[C@H](COCC(C)O)[C@@]([H])(O[C@@]5([H])O[C@H](CO)[C@@]([H])(O[C@@]6([H])O[C@H](CO)[C@@]([H])(O[C@@]7([H])O[C@H](CO)[C@@]([H])(O2)[C@H](O)[C@H]7OCC(C)O)[C@H](O)[C@H]6O)[C@H](O)[C@H]5O)[C@H](O)[C@H]4O)[C@H](O)[C@H]3O)[C@H](O)[C@H]1O |
| InChI | InChI=1S/C54H94O38/c1-17(59)10-75-14-27-22-5-21(63)48(84-27)87-44-26(9-58)83-54(47(40(44)74)78-13-20(4)62)92-43-25(8-57)82-50(38(72)32(43)66)88-41-23(6-55)80-52(36(70)30(41)64)91-46-29(16-77-12-19(3)61)86-53(39(73)34(46)68)89-42-24(7-56)81-51(37(71)31(42)65)90-45-28(15-76-11-18(2)60)85-49(79-22)35(69)33(45)67/h17-74H,5-16H2,1-4H3/t17?,18?,19?,20?,21-,22+,23-,24-,25-,26-,27-,28-,29-,30-,31-,32-,33-,34-,35-,36-,37-,38-,39-,40+,41-,42-,43-,44-,45-,46-,47-,48-,49+,50-,51-,52-,53-,54-/m1/s1 |
| InChIKey | NJWCVQBHNBLNOZ-ZRMYETLXSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| adrabetadex (CHEBI:757136) is a monosaccharide (CHEBI:35381) |
| Synonyms | Source |
|---|---|
| Adrabetadex | ChEMBL |
| Kleptose hpb | ChEMBL |
| VT-270 | ChEMBL |
| Vts270 | ChEMBL |
| VTS-270 | ChEMBL |