0JX
Summary
| Name: | (3E)-4-hydroxybut-3-en-1-yl trihydrogen diphosphate |
| Formula: | C4 H10 O8 P2 |
| Formal charge: | 0 |
| Formula weight: | 248.065 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (3E)-4-hydroxybut-3-en-1-yl trihydrogen diphosphate |
| OpenEye OEToolkits | 1.7.6 | [(E)-4-oxidanylbut-3-enyl] phosphono hydrogen phosphate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=P(O)(O)OP(=O)(OCC\C=C\O)O |
| InChI | InChI | 1.03 | InChI=1S/C4H10O8P2/c5-3-1-2-4-11-14(9,10)12-13(6,7)8/h1,3,5H,2,4H2,(H,9,10)(H2,6,7,8)/b3-1+ |
| InChIKey | InChI | 1.03 | YCGPFMCUJHDYHD-HNQUOIGGSA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | O\C=C\CCO[P](O)(=O)O[P](O)(O)=O |
| SMILES | CACTVS | 3.370 | OC=CCCO[P](O)(=O)O[P](O)(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | C(COP(=O)(O)OP(=O)(O)O)/C=C/O |
| SMILES | OpenEye OEToolkits | 1.7.6 | C(COP(=O)(O)OP(=O)(O)O)C=CO |
