43Y
Summary
| Name: | [(2R)-3-[oxidanyl-[2-(trimethyl-$l^{4}-azanyl)ethoxy]phosphoryl]oxy-2-propanoyloxy-propyl] propanoate |
| Synonyms: | 1,2-dipropionyl-sn-glycero-3-phosphocholine |
| Formula: | C14 H29 N O8 P |
| Formal charge: | 1 |
| Formula weight: | 370.356 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (4S,7R)-4-hydroxy-N,N,N-trimethyl-10-oxo-7-(propanoyloxy)-3,5,9-trioxa-4-phosphadodecan-1-aminium 4-oxide |
| OpenEye OEToolkits | 1.7.6 | 2-[[(2R)-2,3-di(propanoyloxy)propoxy]-oxidanyl-phosphoryl]oxyethyl-trimethyl-azanium |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(OCC(OC(=O)CC)COP(=O)(OCC[N+](C)(C)C)O)CC |
| InChI | InChI | 1.03 | InChI=1S/C14H28NO8P/c1-6-13(16)20-10-12(23-14(17)7-2)11-22-24(18,19)21-9-8-15(3,4)5/h12H,6-11H2,1-5H3/p+1/t12-/m1/s1 |
| InChIKey | InChI | 1.03 | LMBVWVMURYPSQM-GFCCVEGCSA-O |
| SMILES_CANONICAL | CACTVS | 3.385 | CCC(=O)OC[C@H](CO[P](O)(=O)OCC[N+](C)(C)C)OC(=O)CC |
| SMILES | CACTVS | 3.385 | CCC(=O)OC[CH](CO[P](O)(=O)OCC[N+](C)(C)C)OC(=O)CC |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | CCC(=O)OC[C@H](COP(=O)(O)OCC[N+](C)(C)C)OC(=O)CC |
| SMILES | OpenEye OEToolkits | 1.7.6 | CCC(=O)OCC(COP(=O)(O)OCC[N+](C)(C)C)OC(=O)CC |
