Phosphatidylinositol 16:1-18:2
URL: https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Chubu_Univ-UT001228
Dataset description:
This MassBank record with Accession MSBNK-Chubu_Univ-UT001228 contains the MS2 mass spectrum of Phosphatidylinositol 16:1-18:2 with the InChIkey JHVZQBRAEVIBML-DVHZKANPSA-N.
Source: Phosphatidylinositol 16:1-18:2
Chemical Info
InChI | InChI=1S/C43H77O13P/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32-37(45)55-35(34-54-57(51,52)56-43-41(49)39(47)38(46)40(48)42(43)50)33-53-36(44)31-29-27-25-23-21-19-16-14-12-10-8-6-4-2/h20,22,25-28,35,38-43,46-50H,3-19,21,23-24,29-34H2,1-2H3,(H,51,52)/b22-20-,27-25-,28-26-/t35?,38-,39-,40+,41-,42-,43-/m1/s1 |
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SMILES | C(CC(=O)OCC(OC(CCC=CCC=CCCCCCCCCCC)=O)COP(OC(C1O)C(C(C(C1O)O)O)O)(O)=O)C=CCCCCCCCCCCC |
InChI Key | JHVZQBRAEVIBML-DVHZKANPSA-N |
Molecular Formula | C43H77O13P |
Exact Mass | 832.510 g/mol |
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Additional Information
Field | Value |
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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 | dff3b737-8d9e-4f5d-a4f4-75596048917c |
Package id | msbnk-chubu_univ-ut001228 |
Resource type | HTML |
State | active |