V8K
Summary
| Name: | Dolichylphosphate |
| Formula: | C55 H91 O4 P |
| Formal charge: | 0 |
| Formula weight: | 847.282 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | [(3~{R},6~{E},8~{E},10~{E},14~{E},18~{E},22~{E},26~{E},30~{E},34~{E},38~{E})-3,7,11,15,19,23,27,31,35,39,43-undecamethyltetratetraconta-6,8,10,14,18,22,26,30,34,38,42-undecaenyl] dihydrogen phosphate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C55H91O4P/c1-45(2)23-13-24-46(3)25-14-26-47(4)27-15-28-48(5)29-16-30-49(6)31-17-32-50(7)33-18-34-51(8)35-19-36-52(9)37-20-38-53(10)39-21-40-54(11)41-22-42-55(12)43-44-59-60(56,57)58/h21,23,25,27,29,31,33,35,37,39-41,55H,13-20,22,24,26,28,30,32,34,36,38,42-44H2,1-12H3,(H2,56,57,58)/b40-21+,46-25+,47-27+,48-29+,49-31+,50-33+,51-35+,52-37+,53-39+,54-41+/t55-/m1/s1 |
| InChIKey | InChI | 1.03 | RELQHJGBFDNPMD-MJTCBKSFSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | C[C@@H](CCO[P](O)(O)=O)CC\C=C(C)\C=C\C=C(C)\CC\C=C(C)\CC\C=C(C)\CC\C=C(C)\CC\C=C(C)\CC/C=C(C)/CC\C=C(/C)CC/C=C(C)/CCC=C(C)C |
| SMILES | CACTVS | 3.385 | C[CH](CCO[P](O)(O)=O)CCC=C(C)C=CC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(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)/C=C/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CCC=C(C)C)CCOP(=O)(O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC(CCC=C(C)C=CC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)C)CCOP(=O)(O)O |
