PRD_002268
Summary
| Name: | Lipid II |
| Formula: | C54 H91 N8 O26 P2 |
| Fomular weight: | 1330.286 |
| Component type: | peptide-like |
| Polymer sequences: | ALA, DGL, LYS, DAL, DAL |
| Non-polymer components: | |
| BIRD class: | Glycan component |
| Represented as: | polymer |
| Compound Details: | Lipid II is a precursor molecule in the synthesis of the cell wall of bacteria |
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | [(5~{S})-5-[[(4~{R})-4-[[(2~{S})-2-[2-[(2~{R},3~{R},4~{R},5~{S},6~{R})-3-acetamido-5-[(2~{S},3~{R},4~{R},5~{S},6~{R})-3-acetamido-6-(hydroxymethyl)-4,5-bis(oxidanyl)oxan-2-yl]oxy-2-[[[bis(oxidanidyl)-[[(2~{E},6~{E})-3,7,11-trimethyldodeca-2,6,10-trienyl]-$l^{3}-oxidanylidene]-$l^{5}-phosphanyl]-$l^{3}-oxidanylidene]-bis(oxidanidyl)-$l^{5}-phosphanyl]oxy-6-(hydroxymethyl)oxan-4-yl]oxypropanoylamino]propanoyl]amino]-5-oxidanyl-5-oxidanylidene-pentanoyl]amino]-6-oxidanylidene-6-[[(2~{R})-1-oxidanylidene-1-[[(2~{R})-1-oxidanyl-1-oxidanylidene-propan-2-yl]amino]propan-2-yl]amino]hexyl]azanium |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES_CANONICAL | CACTVS | 3.385 | C[C@@H](NC(=O)[C@@H](C)NC(=O)[C@H](CCCC[NH3+])NC(=O)CC[C@@H](NC(=O)[C@H](C)NC(=O)[C@@H](C)O[C@@H]1[C@@H](NC(C)=O)[C@H](O[C@H](CO)[C@H]1O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2NC(C)=O)O[P]([O-])([O-])=[O][P]([O-])([O-])=[O]C/C=C(C)/CC/C=C(C)/CCC=C(C)C)C(O)=O)C(O)=O |
| SMILES | CACTVS | 3.385 | C[CH](NC(=O)[CH](C)NC(=O)[CH](CCCC[NH3+])NC(=O)CC[CH](NC(=O)[CH](C)NC(=O)[CH](C)O[CH]1[CH](NC(C)=O)[CH](O[CH](CO)[CH]1O[CH]2O[CH](CO)[CH](O)[CH](O)[CH]2NC(C)=O)O[P]([O-])([O-])=[O][P]([O-])([O-])=[O]CC=C(C)CCC=C(C)CCC=C(C)C)C(O)=O)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C[C@H](C(=O)N[C@H](C)C(=O)O)NC(=O)[C@H](CCCC[NH3+])NC(=O)CC[C@H](C(=O)O)NC(=O)[C@H](C)NC(=O)C(C)O[C@@H]1[C@H]([C@H](O[C@@H]([C@H]1O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)NC(=O)C)CO)OP(=OP(=OC/C=C(\C)/CC/C=C(\C)/CCC=C(C)C)([O-])[O-])([O-])[O-])NC(=O)C |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC(C(=O)NC(CCC(=O)NC(CCCC[NH3+])C(=O)NC(C)C(=O)NC(C)C(=O)O)C(=O)O)NC(=O)C(C)OC1C(C(OC(C1OC2C(C(C(C(O2)CO)O)O)NC(=O)C)CO)OP(=OP(=OCC=C(C)CCC=C(C)CCC=C(C)C)([O-])[O-])([O-])[O-])NC(=O)C |
