A1L69
Summary
| Name: | [(~{Z},2~{R},3~{S})-2-azanyl-3-oxidanyl-hexadec-4-enyl] dihydrogen phosphate |
| Formula: | C16 H34 N O5 P |
| Formal charge: | 0 |
| Formula weight: | 351.419 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | [(~{Z},2~{R},3~{S})-2-azanyl-3-oxidanyl-hexadec-4-enyl] dihydrogen phosphate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C16H34NO5P/c1-2-3-4-5-6-7-8-9-10-11-12-13-16(18)15(17)14-22-23(19,20)21/h12-13,15-16,18H,2-11,14,17H2,1H3,(H2,19,20,21)/b13-12-/t15-,16+/m1/s1 |
| InChIKey | InChI | 1.06 | IQHNJQKWEMCXAD-AXUOUDRWSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCCCCCCCCCC\C=C/[C@H](O)[C@H](N)CO[P](O)(O)=O |
| SMILES | CACTVS | 3.385 | CCCCCCCCCCCC=C[CH](O)[CH](N)CO[P](O)(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CCCCCCCCCCC/C=C\[C@@H]([C@@H](COP(=O)(O)O)N)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | CCCCCCCCCCCC=CC(C(COP(=O)(O)O)N)O |
