A1JKY
Summary
| Name: | Farmesyl monophosphate beta-D-Mannose |
| Synonyms: | [(2~{S},3~{S},4~{S},5~{S},6~{R})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl] [(2~{E},6~{E})-3,7,11-trimethyldodeca-2,6,10-trienyl] hydrogen phosphate |
| Formula: | C21 H37 O9 P |
| Formal charge: | 0 |
| Formula weight: | 464.487 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | [(2~{S},3~{S},4~{S},5~{S},6~{R})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl] [(2~{E},6~{E})-3,7,11-trimethyldodeca-2,6,10-trienyl] hydrogen phosphate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C21H37O9P/c1-14(2)7-5-8-15(3)9-6-10-16(4)11-12-28-31(26,27)30-21-20(25)19(24)18(23)17(13-22)29-21/h7,9,11,17-25H,5-6,8,10,12-13H2,1-4H3,(H,26,27)/b15-9+,16-11+/t17-,18-,19+,20+,21+/m1/s1 |
| InChIKey | InChI | 1.06 | GFHCTVPPXDPSFE-YBPGTOPWSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(C)=CCC\C(C)=C\CC\C(C)=C\CO[P](O)(=O)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O |
| SMILES | CACTVS | 3.385 | CC(C)=CCCC(C)=CCCC(C)=CCO[P](O)(=O)O[CH]1O[CH](CO)[CH](O)[CH](O)[CH]1O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CC(=CCC/C(=C/CC/C(=C/COP(=O)(O)O[C@H]1[C@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)/C)/C)C |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC(=CCCC(=CCCC(=CCOP(=O)(O)OC1C(C(C(C(O1)CO)O)O)O)C)C)C |
