A1L5J
Summary
| Name: | [(2~{E})-3,7-dimethylocta-2,6-dienyl] [(2~{S},3~{R},4~{S},5~{R})-5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl] hydrogen phosphate |
| Formula: | C15 H27 O8 P |
| Formal charge: | 0 |
| Formula weight: | 366.344 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | [(2~{E})-3,7-dimethylocta-2,6-dienyl] [(2~{S},3~{R},4~{S},5~{R})-5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl] hydrogen phosphate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C15H27O8P/c1-10(2)5-4-6-11(3)7-8-21-24(19,20)23-15-14(18)13(17)12(9-16)22-15/h5,7,12-18H,4,6,8-9H2,1-3H3,(H,19,20)/b11-7+/t12-,13-,14-,15+/m1/s1 |
| InChIKey | InChI | 1.06 | YSLCRGJRVMNMDN-XDBUCDCOSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(C)=CCC\C(C)=C\CO[P](O)(=O)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O |
| SMILES | CACTVS | 3.385 | CC(C)=CCCC(C)=CCO[P](O)(=O)O[CH]1O[CH](CO)[CH](O)[CH]1O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CC(=CCC/C(=C/COP(=O)(O)O[C@H]1[C@@H]([C@@H]([C@H](O1)CO)O)O)/C)C |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC(=CCCC(=CCOP(=O)(O)OC1C(C(C(O1)CO)O)O)C)C |
