Phosphatidylcholine 16:0-20:3
URL: https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Chubu_Univ-UT001753
Dataset description:
This MassBank record with Accession MSBNK-Chubu_Univ-UT001753 contains the MS2 mass spectrum of Phosphatidylcholine 16:0-20:3 with the InChIkey XWDUIGPTBYOBBP-BQYMPCJESA-N.
Source: Phosphatidylcholine 16:0-20:3
Chemical Info
| InChI | InChI=1S/C44H82NO8P/c1-6-8-10-12-14-16-18-20-21-22-23-25-27-29-31-33-35-37-44(47)53-42(41-52-54(48,49)51-39-38-45(3,4)5)40-50-43(46)36-34-32-30-28-26-24-19-17-15-13-11-9-7-2/h21-22,25,27,31,33,42H,6-20,23-24,26,28-30,32,34-41H2,1-5H3/b22-21-,27-25-,33-31- |
|---|---|
| SMILES | C(CCCCC)CCCC=CCC=CCC=CCCC(=O)OC(COP(OCC[N+1](C)(C)C)([O-1])=O)COC(CCCCCCCCCCCCCCC)=O |
| InChI Key | XWDUIGPTBYOBBP-BQYMPCJESA-N |
| Molecular Formula | C44H82NO8P |
| Exact Mass | 783.578 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 | b56aa7e6-b87e-4029-82ea-d3c9ba881fa7 |
| Package id | msbnk-chubu_univ-ut001753 |
| Resource type | HTML |
| State | active |