18L
Summary
| Name: | (2R)-2-hydroxy-3-(phosphonooxy)propyl (9Z,12Z)-octadeca-9,12-dienoate |
| Synonyms: | D (+)-sn-1-O-linoleoyl-glyceryl-3-phosphate |
| Formula: | C21 H39 O7 P |
| Formal charge: | 0 |
| Formula weight: | 434.504 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (2R)-2-hydroxy-3-(phosphonooxy)propyl (9Z,12Z)-octadeca-9,12-dienoate |
| OpenEye OEToolkits | 1.7.0 | [(2R)-2-hydroxy-3-phosphonooxy-propyl] (9Z,12Z)-octadeca-9,12-dienoate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=P(OCC(O)COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)(O)O |
| SMILES_CANONICAL | CACTVS | 3.370 | CCCCC\C=C/C\C=C/CCCCCCCC(=O)OC[C@@H](O)CO[P](O)(O)=O |
| SMILES | CACTVS | 3.370 | CCCCCC=CCC=CCCCCCCCC(=O)OC[CH](O)CO[P](O)(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | CCCCC/C=C\C/C=C\CCCCCCCC(=O)OC[C@H](COP(=O)(O)O)O |
| SMILES | OpenEye OEToolkits | 1.7.0 | CCCCCC=CCC=CCCCCCCCC(=O)OCC(COP(=O)(O)O)O |
| InChI | InChI | 1.03 | InChI=1S/C21H39O7P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(23)27-18-20(22)19-28-29(24,25)26/h6-7,9-10,20,22H,2-5,8,11-19H2,1H3,(H2,24,25,26)/b7-6-,10-9-/t20-/m1/s1 |
| InChIKey | InChI | 1.03 | ZQTAMPRZFOOEEP-KKFOGOCZSA-N |
