LSP
Summary
| Name: | (7S)-4,7-DIHYDROXY-10-OXO-3,5,9-TRIOXA-4-PHOSPHAUNDECAN-1-AMINIUM 4-OXIDE |
| Synonyms: | 1-ACETYL-2-LYSO-SN-GLYCERO-3-PHOSPHOETHANOLAMINE |
| Formula: | C7 H17 N O7 P |
| Formal charge: | 1 |
| Formula weight: | 258.186 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | (4S,7S)-4,7-dihydroxy-10-oxo-3,5,9-trioxa-4-phosphaundecan-1-aminium 4-oxide |
| OpenEye OEToolkits | 1.5.0 | 2-[[(2S)-3-acetyloxy-2-hydroxy-propoxy]-hydroxy-phosphoryl]oxyethylazanium |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C(OCC(O)COP(=O)(OCC[NH3+])O)C |
| SMILES_CANONICAL | CACTVS | 3.341 | CC(=O)OC[C@H](O)CO[P@](O)(=O)OCC[NH3+] |
| SMILES | CACTVS | 3.341 | CC(=O)OC[CH](O)CO[P](O)(=O)OCC[NH3+] |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | CC(=O)OC[C@@H](CO[P@@](=O)(O)OCC[NH3+])O |
| SMILES | OpenEye OEToolkits | 1.5.0 | CC(=O)OCC(COP(=O)(O)OCC[NH3+])O |
| InChI | InChI | 1.03 | InChI=1S/C7H16NO7P/c1-6(9)13-4-7(10)5-15-16(11,12)14-3-2-8/h7,10H,2-5,8H2,1H3,(H,11,12)/p+1/t7-/m0/s1 |
| InChIKey | InChI | 1.03 | CWRILEGKIAOYKP-ZETCQYMHSA-O |
