Phosphatidylinositol 16:0-20:4
URL: https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Chubu_Univ-UT001967
Dataset description:
This MassBank record with Accession MSBNK-Chubu_Univ-UT001967 contains the MS2 mass spectrum of Phosphatidylinositol 16:0-20:4 with the InChIkey QAOYQEIOBPZFPB-VHZSRAIHSA-N.
Source: Phosphatidylinositol 16:0-20:4
Chemical Info
| InChI | InChI=1S/C45H79O13P/c1-3-5-7-9-11-13-15-17-18-19-20-22-24-26-28-30-32-34-39(47)57-37(36-56-59(53,54)58-45-43(51)41(49)40(48)42(50)44(45)52)35-55-38(46)33-31-29-27-25-23-21-16-14-12-10-8-6-4-2/h13,15,18-19,22,24,28,30,37,40-45,48-52H,3-12,14,16-17,20-21,23,25-27,29,31-36H2,1-2H3,(H,53,54)/b15-13-,19-18-,24-22-,30-28-/t37?,40-,41-,42+,43-,44-,45-/m1/s1 |
|---|---|
| SMILES | C(CCCCCC)=CCC=CCC=CCC=CCCC(=O)OC(COC(=O)CCCCCCCCCCCCCCC)COP(O)(=O)OC(C(O)1)C(O)C(O)C(O)C(O)1 |
| InChI Key | QAOYQEIOBPZFPB-VHZSRAIHSA-N |
| Molecular Formula | C45H79O13P |
| Exact Mass | 858.526 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 | 0d0c6afe-b7c5-4198-9cda-0389a4cbb53d |
| Package id | msbnk-chubu_univ-ut001967 |
| Resource type | HTML |
| State | active |