OU9
Summary
| Name: | [(2~{S})-1-[2-azanylethoxy(oxidanyl)phosphoryl]oxy-3-oxidanyl-propan-2-yl] (~{Z})-octadec-9-enoate |
| Formula: | C23 H46 N O7 P |
| Formal charge: | 0 |
| Formula weight: | 479.588 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 3.1.0.0 | [(2~{S})-1-[2-azanylethoxy(oxidanyl)phosphoryl]oxy-3-oxidanyl-propan-2-yl] (~{Z})-octadec-9-enoate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C23H46NO7P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-23(26)31-22(20-25)21-30-32(27,28)29-19-18-24/h9-10,22,25H,2-8,11-21,24H2,1H3,(H,27,28)/b10-9-/t22-/m0/s1 |
| InChIKey | InChI | 1.06 | NOVZJYYJYIFXJC-DYYZXQNHSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCCCCCCC\C=C/CCCCCCCC(=O)O[C@@H](CO)CO[P](O)(=O)OCCN |
| SMILES | CACTVS | 3.385 | CCCCCCCCC=CCCCCCCCC(=O)O[CH](CO)CO[P](O)(=O)OCCN |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | CCCCCCCC/C=C\CCCCCCCC(=O)O[C@@H](CO)COP(=O)(O)OCCN |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | CCCCCCCCC=CCCCCCCCC(=O)OC(CO)COP(=O)(O)OCCN |
