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Phosphatidylinositol 16:0-22:6

URL: https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Chubu_Univ-UT001227

Dataset description:

This MassBank record with Accession MSBNK-Chubu_Univ-UT001227 contains the MS2 mass spectrum of Phosphatidylinositol 16:0-22:6 with the InChIkey FPHAZHKZJQOPBU-BXVYXOBNSA-N.

Source: Phosphatidylinositol 16:0-22:6

Chemical Info

molecular Image

InChI	InChI=1S/C47H79O13P/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-24-26-28-30-32-34-36-41(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)35-33-31-29-27-25-23-16-14-12-10-8-6-4-2/h5,7,11,13,17-18,20-21,24,26,30,32,39,42-47,50-54H,3-4,6,8-10,12,14-16,19,22-23,25,27-29,31,33-38H2,1-2H3,(H,55,56)/b7-5-,13-11-,18-17-,21-20-,26-24-,32-30-/t39?,42-,43-,44+,45-,46-,47-/m1/s1
SMILES	C(CC=CCC=CCC=CCC=CCC=CCC)=CCCC(=O)OC(COC(=O)CCCCCCCCCCCCCCC)COP(OC(C(O)1)C(O)C(C(O)C(O)1)O)(O)=O
InChI Key	FPHAZHKZJQOPBU-BXVYXOBNSA-N
Molecular Formula	C47H79O13P
Exact Mass	882.526 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	12d50659-4cc1-4f68-b14e-14c8deb7be7b
Package id	msbnk-chubu_univ-ut001227
Resource type	HTML
State	active