Phosphatidylinositol 18:0-22:5
URL: https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Chubu_Univ-UT002709
Dataset description:
This MassBank record with Accession MSBNK-Chubu_Univ-UT002709 contains the MS2 mass spectrum of Phosphatidylinositol 18:0-22:5 with the InChIkey MQRZIONTIPBTLX-SGZUTDQTSA-N.
Source: Phosphatidylinositol 18:0-22:5
Chemical Info
| InChI | InChI=1S/C49H85O13P/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-26-28-30-32-34-36-38-43(51)61-41(40-60-63(57,58)62-49-47(55)45(53)44(52)46(54)48(49)56)39-59-42(50)37-35-33-31-29-27-25-23-18-16-14-12-10-8-6-4-2/h11,13,17,19,21-22,26,28,32,34,41,44-49,52-56H,3-10,12,14-16,18,20,23-25,27,29-31,33,35-40H2,1-2H3,(H,57,58)/b13-11-,19-17-,22-21-,28-26-,34-32-/t41?,44-,45-,46+,47-,48-,49-/m1/s1 |
|---|---|
| SMILES | O(P(OCC(OC(CCC=CCC=CCC=CCC=CCC=CCCCCC)=O)COC(=O)CCCCCCCCCCCCCCCCC)(O)=O)C(C1O)C(C(C(C1O)O)O)O |
| InChI Key | MQRZIONTIPBTLX-SGZUTDQTSA-N |
| Molecular Formula | C49H85O13P |
| Exact Mass | 912.573 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 | eb29a7e5-0c23-4a30-8e20-dc4bc8b323e5 |
| Package id | msbnk-chubu_univ-ut002709 |
| Resource type | HTML |
| State | active |