10G
Summary
| Name: | (2E)-3-methyl-4-sulfanylbut-2-en-1-yl trihydrogen diphosphate |
| Formula: | C5 H12 O7 P2 S |
| Formal charge: | 0 |
| Formula weight: | 278.157 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (2E)-3-methyl-4-sulfanylbut-2-en-1-yl trihydrogen diphosphate |
| OpenEye OEToolkits | 1.7.6 | [(E)-3-methyl-4-sulfanyl-but-2-enyl] phosphono hydrogen phosphate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=P(OP(=O)(OC/C=C(\C)CS)O)(O)O |
| InChI | InChI | 1.03 | InChI=1S/C5H12O7P2S/c1-5(4-15)2-3-11-14(9,10)12-13(6,7)8/h2,15H,3-4H2,1H3,(H,9,10)(H2,6,7,8)/b5-2+ |
| InChIKey | InChI | 1.03 | YSUKJHNOIKPIFM-GORDUTHDSA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | C\C(CS)=C/CO[P](O)(=O)O[P](O)(O)=O |
| SMILES | CACTVS | 3.370 | CC(CS)=CCO[P](O)(=O)O[P](O)(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | C/C(=C\COP(=O)(O)OP(=O)(O)O)/CS |
| SMILES | OpenEye OEToolkits | 1.7.6 | CC(=CCOP(=O)(O)OP(=O)(O)O)CS |
