XBP
Summary
| Name: | XYLULOSE-1,5-BISPHOSPHATE |
| Formula: | C5 H12 O11 P2 |
| Formal charge: | 0 |
| Formula weight: | 310.09 Da |
| Component type: | SACCHARIDE |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | 1,5-di-O-phosphono-D-xylulose |
| OpenEye OEToolkits | 1.5.0 | [(3S,4R)-3,4-dihydroxy-2-oxo-5-phosphonooxy-pentyl] dihydrogen phosphate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=P(O)(O)OCC(=O)C(O)C(O)COP(=O)(O)O |
| SMILES_CANONICAL | CACTVS | 3.341 | O[C@H](CO[P](O)(O)=O)[C@H](O)C(=O)CO[P](O)(O)=O |
| SMILES | CACTVS | 3.341 | O[CH](CO[P](O)(O)=O)[CH](O)C(=O)CO[P](O)(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | C([C@H]([C@@H](C(=O)COP(=O)(O)O)O)O)OP(=O)(O)O |
| SMILES | OpenEye OEToolkits | 1.5.0 | C(C(C(C(=O)COP(=O)(O)O)O)O)OP(=O)(O)O |
| InChI | InChI | 1.03 | InChI=1S/C5H12O11P2/c6-3(1-15-17(9,10)11)5(8)4(7)2-16-18(12,13)14/h3,5-6,8H,1-2H2,(H2,9,10,11)(H2,12,13,14)/t3-,5+/m1/s1 |
| InChIKey | InChI | 1.03 | YAHZABJORDUQGO-WUJLRWPWSA-N |
