A1L34
Summary
| Name: | [(2~{S})-1-[[(2~{S})-2-[(~{Z})-octadec-9-enoyl]oxy-3-oxidanyl-propoxy]-oxidanyl-phosphoryl]oxy-3-oxidanyl-propan-2-yl] (~{Z})-octadec-9-enoate |
| Formula: | C42 H79 O10 P |
| Formal charge: | 0 |
| Formula weight: | 775.044 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | [(2~{S})-1-[[(2~{S})-2-[(~{Z})-octadec-9-enoyl]oxy-3-oxidanyl-propoxy]-oxidanyl-phosphoryl]oxy-3-oxidanyl-propan-2-yl] (~{Z})-octadec-9-enoate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C42H79O10P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-41(45)51-39(35-43)37-49-53(47,48)50-38-40(36-44)52-42(46)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h17-20,39-40,43-44H,3-16,21-38H2,1-2H3,(H,47,48)/b19-17-,20-18-/t39-,40-/m0/s1 |
| InChIKey | InChI | 1.06 | ZCXRIDHJRROVJY-JOZUOZHYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCCCCCCC\C=C/CCCCCCCC(=O)O[C@@H](CO)CO[P](O)(=O)OC[C@H](CO)OC(=O)CCCCCCC\C=C/CCCCCCCC |
| SMILES | CACTVS | 3.385 | CCCCCCCCC=CCCCCCCCC(=O)O[CH](CO)CO[P](O)(=O)OC[CH](CO)OC(=O)CCCCCCCC=CCCCCCCCC |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CCCCCCCC/C=C\CCCCCCCC(=O)O[C@H](COP(=O)(OC[C@@H](OC(=O)CCCCCCC/C=C\CCCCCCCC)CO)O)CO |
| SMILES | OpenEye OEToolkits | 2.0.7 | CCCCCCCCC=CCCCCCCCC(=O)OC(CO)COP(=O)(O)OCC(CO)OC(=O)CCCCCCCC=CCCCCCCCC |
