1-(9Z,12Z,15Z-Octadecatrienoyl)-2-hydroxy-sn-gl...
URL: https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-BS-BS001063
Dataset description:
This MassBank record with Accession MSBNK-BS-BS001063 contains the MS2 mass spectrum of 1-(9Z,12Z,15Z-Octadecatrienoyl)-2-hydroxy-sn-glycero-3-phosphocholine (NMR) with the InChIkey...
Source: 1-(9Z,12Z,15Z-Octadecatrienoyl)-2-hydroxy-sn-glycero-3-phosphocholine (NMR)
Chemical Info
| InChI | InChI=1S/C26H48NO7P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-26(29)32-23-25(28)24-34-35(30,31)33-22-21-27(2,3)4/h6-7,9-10,12-13,25,28H,5,8,11,14-24H2,1-4H3/b7-6-,10-9-,13-12-/t25-/m1/s1 |
|---|---|
| SMILES | C([C@H](COP(=O)([O-])OCC[N+](C)(C)C)O)OC(CCCCCCC/C=C\C/C=C\C/C=C\CC)=O |
| InChI Key | WKQNRCYKYCKESD-YVHLTTHBSA-N |
| Molecular Formula | C26H48NO7P |
| Exact Mass | 517.317 g/mol |
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Additional Information
| Field | Value |
|---|---|
| Data last updated | January 11, 2024 |
| Metadata last updated | January 11, 2024 |
| Created | January 11, 2024 |
| Format | HTML |
| License | Attribution-NonCommercial-ShareAlike 4.0 International (CC BY-NC-SA 4.0) |
| Id | 2ef00e19-8e3d-4fe6-9ce1-4cf2561f44ef |
| Package id | msbnk-bs-bs001063 |
| Resource type | HTML |
| State | active |