A1EET
Summary
| Name: | [(2~{R})-3-[[(2~{S})-2,3-bis(oxidanyl)propoxy]-oxidanyl-phosphoryl]oxy-2-oxidanyl-propyl] (9~{Z},12~{Z})-octadeca-9,12-dienoate |
| Synonyms: | LPG(18:2) |
| Formula: | C24 H45 O9 P |
| Formal charge: | 0 |
| Formula weight: | 508.582 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | [(2~{R})-3-[[(2~{S})-2,3-bis(oxidanyl)propoxy]-oxidanyl-phosphoryl]oxy-2-oxidanyl-propyl] (9~{Z},12~{Z})-octadeca-9,12-dienoate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C24H45O9P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-24(28)31-19-23(27)21-33-34(29,30)32-20-22(26)18-25/h6-7,9-10,22-23,25-27H,2-5,8,11-21H2,1H3,(H,29,30)/b7-6-,10-9-/t22-,23+/m0/s1 |
| InChIKey | InChI | 1.06 | VEEHTGYBVMTAAF-RFFZIGDUSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCCCC\C=C/C\C=C/CCCCCCCC(=O)OC[C@@H](O)CO[P](O)(=O)OC[C@@H](O)CO |
| SMILES | CACTVS | 3.385 | CCCCCC=CCC=CCCCCCCCC(=O)OC[CH](O)CO[P](O)(=O)OC[CH](O)CO |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CCCCC/C=C\C/C=C\CCCCCCCC(=O)OC[C@H](COP(=O)(O)OC[C@H](CO)O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | CCCCCC=CCC=CCCCCCCCC(=O)OCC(COP(=O)(O)OCC(CO)O)O |
