5VI
Summary
| Name: | (2S)-2-azanyl-3-[[(2S)-3-butanoyloxy-2-dec-9-enoyloxy-propoxy]-oxidanyl-phosphoryl]oxy-propanoic acid |
| Formula: | C20 H36 N O10 P |
| Formal charge: | 0 |
| Formula weight: | 481.474 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | (2~{S})-2-azanyl-3-[[(2~{S})-3-butanoyloxy-2-dec-9-enoyloxy-propoxy]-oxidanyl-phosphoryl]oxy-propanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C20H36NO10P/c1-3-5-6-7-8-9-10-12-19(23)31-16(13-28-18(22)11-4-2)14-29-32(26,27)30-15-17(21)20(24)25/h3,16-17H,1,4-15,21H2,2H3,(H,24,25)(H,26,27)/t16-,17-/m0/s1 |
| InChIKey | InChI | 1.03 | QOQOJXXMIFYVDE-IRXDYDNUSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCCC(=O)OC[C@@H](CO[P](O)(=O)OC[C@H](N)C(O)=O)OC(=O)CCCCCCCC=C |
| SMILES | CACTVS | 3.385 | CCCC(=O)OC[CH](CO[P](O)(=O)OC[CH](N)C(O)=O)OC(=O)CCCCCCCC=C |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CCCC(=O)OC[C@@H](COP(=O)(O)OC[C@@H](C(=O)O)N)OC(=O)CCCCCCCC=C |
| SMILES | OpenEye OEToolkits | 2.0.7 | CCCC(=O)OCC(COP(=O)(O)OCC(C(=O)O)N)OC(=O)CCCCCCCC=C |
