Phosphatidylcholine 17:0-20:3
URL: https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Chubu_Univ-UT002503
Dataset description:
This MassBank record with Accession MSBNK-Chubu_Univ-UT002503 contains the MS2 mass spectrum of Phosphatidylcholine 17:0-20:3 with the InChIkey WONILIINQKCSNA-XXLZVXFVSA-N.
Source: Phosphatidylcholine 17:0-20:3
Chemical Info
| InChI | InChI=1S/C45H84NO8P/c1-6-8-10-12-14-16-18-20-22-23-24-26-28-30-32-34-36-38-45(48)54-43(42-53-55(49,50)52-40-39-46(3,4)5)41-51-44(47)37-35-33-31-29-27-25-21-19-17-15-13-11-9-7-2/h22-23,26,28,32,34,43H,6-21,24-25,27,29-31,33,35-42H2,1-5H3/b23-22-,28-26-,34-32- |
|---|---|
| SMILES | C(CCCCCC)CCCCCCCCCC(=O)OCC(COP(OCC[N+1](C)(C)C)([O-1])=O)OC(CCC=CCC=CCC=CCCCCCCCCC)=O |
| InChI Key | WONILIINQKCSNA-XXLZVXFVSA-N |
| Molecular Formula | C45H84NO8P |
| Exact Mass | 797.593 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 | 12d46874-742f-42dd-bd95-4aa22f3e66d5 |
| Package id | msbnk-chubu_univ-ut002503 |
| Resource type | HTML |
| State | active |