FPQ
Summary
| Name: | (2R)-3-(phosphonooxy)-2-{[(2Z,6E)-3,7,11-trimethyldodeca-2,6,10-trien-1-yl]oxy}propanoic acid |
| Formula: | C18 H31 O7 P |
| Formal charge: | 0 |
| Formula weight: | 390.408 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (2R)-3-(phosphonooxy)-2-{[(2Z,6E)-3,7,11-trimethyldodeca-2,6,10-trien-1-yl]oxy}propanoic acid |
| OpenEye OEToolkits | 1.7.6 | (2R)-3-phosphonooxy-2-[(2Z,6E)-3,7,11-trimethyldodeca-2,6,10-trienoxy]propanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(O)C(OC/C=C(/C)CC\C=C(/C)CC\C=C(/C)C)COP(=O)(O)O |
| InChI | InChI | 1.03 | InChI=1S/C18H31O7P/c1-14(2)7-5-8-15(3)9-6-10-16(4)11-12-24-17(18(19)20)13-25-26(21,22)23/h7,9,11,17H,5-6,8,10,12-13H2,1-4H3,(H,19,20)(H2,21,22,23)/b15-9+,16-11-/t17-/m1/s1 |
| InChIKey | InChI | 1.03 | SLQQIKXGDCLCGX-XLGHFPRDSA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | CC(C)=CCCC(/C)=C/CCC(\C)=C/CO[C@H](CO[P](O)(O)=O)C(O)=O |
| SMILES | CACTVS | 3.370 | CC(C)=CCCC(C)=CCCC(C)=CCO[CH](CO[P](O)(O)=O)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | CC(=CCC/C(=C/CC/C(=C\CO[C@H](COP(=O)(O)O)C(=O)O)/C)/C)C |
| SMILES | OpenEye OEToolkits | 1.7.6 | CC(=CCCC(=CCCC(=CCOC(COP(=O)(O)O)C(=O)O)C)C)C |
