Phosphatidylcholine 18:3-18:2
URL: https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Chubu_Univ-UT002313
Dataset description:
This MassBank record with Accession MSBNK-Chubu_Univ-UT002313 contains the MS3 mass spectrum of Phosphatidylcholine 18:3-18:2 with the InChIkey JEJPTXPTKMRSCT-VNUOCOMJSA-N.
Source: Phosphatidylcholine 18:3-18:2
Chemical Info
| InChI | InChI=1S/C44H78NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-43(46)50-40-42(41-52-54(48,49)51-39-38-45(3,4)5)53-44(47)37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h18,20,24-27,30-33,42H,6-17,19,21-23,28-29,34-41H2,1-5H3/b20-18-,26-24-,27-25-,32-30-,33-31- |
|---|---|
| SMILES | C(CCC=CCC=CCC=CCCC(=O)OCC(COP(OCC[N+1](C)(C)C)([O-1])=O)OC(CCC=CCC=CCCCCCCCCCC)=O)CCCC |
| InChI Key | JEJPTXPTKMRSCT-VNUOCOMJSA-N |
| Molecular Formula | C44H78NO8P |
| Exact Mass | 779.547 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 | b7fdb815-7d23-4115-ad0d-c2c132d073ea |
| Package id | msbnk-chubu_univ-ut002313 |
| Resource type | HTML |
| State | active |