WJP
Summary
| Name: | methyl (3R,6Z,10E,14E)-3,7,11,15,19-pentamethylicosa-6,10,14,18-tetraen-1-yl dihydrogen diphosphate |
| Synonyms: | dolichol-pp |
| Formula: | C26 H48 O7 P2 |
| Formal charge: | 0 |
| Formula weight: | 534.603 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | methyl (3R,6Z,10E,14E)-3,7,11,15,19-pentamethylicosa-6,10,14,18-tetraen-1-yl dihydrogen diphosphate |
| OpenEye OEToolkits | 2.0.7 | [methoxy(oxidanyl)phosphoryl] [(3~{R},6~{Z},10~{E},14~{E})-3,7,11,15,19-pentamethylicosa-6,10,14,18-tetraenyl] hydrogen phosphate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | CC(CC[C@H]=C(CC\C=C(/C)CC\C=C(\CC[C@H]=C(C)C)C)C)CCOP(=O)(O)OP(OC)(=O)O |
| InChI | InChI | 1.03 | InChI=1S/C26H48O7P2/c1-22(2)12-8-13-23(3)14-9-15-24(4)16-10-17-25(5)18-11-19-26(6)20-21-32-35(29,30)33-34(27,28)31-7/h12,14,16,18,26H,8-11,13,15,17,19-21H2,1-7H3,(H,27,28)(H,29,30)/b23-14+,24-16+,25-18-/t26-/m1/s1 |
| InChIKey | InChI | 1.03 | GDOCHZBDTMOKKR-FEJNUDJDSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CO[P](O)(=O)O[P](O)(=O)OCC[C@H](C)CC/C=C(/C)CC\C=C(/C)CC\C=C(/C)CCC=C(C)C |
| SMILES | CACTVS | 3.385 | CO[P](O)(=O)O[P](O)(=O)OCC[CH](C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)C |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C[C@H](CC/C=C(/C)\CC/C=C(\C)/CC/C=C(\C)/CCC=C(C)C)CCOP(=O)(O)OP(=O)(O)OC |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC(CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)C)CCOP(=O)(O)OP(=O)(O)OC |
