Phosphatidylinositol 18:1-20:4
URL: https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Chubu_Univ-UT001981
Dataset description:
This MassBank record with Accession MSBNK-Chubu_Univ-UT001981 contains the MS2 mass spectrum of Phosphatidylinositol 18:1-20:4 with the InChIkey PKDRPGXTELXGGN-RXMKVQODSA-N.
Source: Phosphatidylinositol 18:1-20:4
Chemical Info
| InChI | InChI=1S/C47H81O13P/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-36-41(49)59-39(38-58-61(55,56)60-47-45(53)43(51)42(50)44(52)46(47)54)37-57-40(48)35-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2/h13,15,19-20,24,26,29-32,39,42-47,50-54H,3-12,14,16-18,21-23,25,27-28,33-38H2,1-2H3,(H,55,56)/b15-13-,20-19-,26-24-,31-29-,32-30-/t39?,42-,43-,44+,45-,46-,47-/m1/s1 |
|---|---|
| SMILES | C(CCC(=O)OC(COP(OC(C(O)1)C(O)C(O)C(O)C1O)(O)=O)COC(CCC=CCCCCCCCCCCCCC)=O)=CCC=CCC=CCC=CCCCCCC |
| InChI Key | PKDRPGXTELXGGN-RXMKVQODSA-N |
| Molecular Formula | C47H81O13P |
| Exact Mass | 884.541 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 | 9fd335c0-c78d-4df7-8e4f-2097d375de2e |
| Package id | msbnk-chubu_univ-ut001981 |
| Resource type | HTML |
| State | active |