CH5
Summary
| Name: | 2-(((R)-2,3-DIHYDROXYPROPYL)PHOSPHORYLOXY)-N,N,N-TRIMETHYLETHANAMINIUM |
| Synonyms: | GLYCERO-3-PHOSPHOCHOLINE |
| Formula: | C8 H21 N O6 P |
| Formal charge: | 1 |
| Formula weight: | 258.229 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | 2-{[(S)-{[(2R)-2,3-dihydroxypropyl]oxy}(hydroxy)phosphoryl]oxy}-N,N,N-trimethylethanaminium |
| OpenEye OEToolkits | 1.5.0 | 2-[[(2R)-2,3-dihydroxypropoxy]-hydroxy-phosphoryl]oxyethyl-trimethyl-azanium |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=P(OCC(O)CO)(OCC[N+](C)(C)C)O |
| SMILES_CANONICAL | CACTVS | 3.341 | C[N+](C)(C)CCO[P@@](O)(=O)OC[C@H](O)CO |
| SMILES | CACTVS | 3.341 | C[N+](C)(C)CCO[P](O)(=O)OC[CH](O)CO |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | C[N+](C)(C)CCO[P@](=O)(O)OC[C@@H](CO)O |
| SMILES | OpenEye OEToolkits | 1.5.0 | C[N+](C)(C)CCOP(=O)(O)OCC(CO)O |
| InChI | InChI | 1.03 | InChI=1S/C8H20NO6P/c1-9(2,3)4-5-14-16(12,13)15-7-8(11)6-10/h8,10-11H,4-7H2,1-3H3/p+1/t8-/m1/s1 |
| InChIKey | InChI | 1.03 | SUHOQUVVVLNYQR-MRVPVSSYSA-O |
