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Phosphatidylinositol 16:1-20:4

URL: https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Chubu_Univ-UT002220

Dataset description:

This MassBank record with Accession MSBNK-Chubu_Univ-UT002220 contains the MS2 mass spectrum of Phosphatidylinositol 16:1-20:4 with the InChIkey BYKLOOOZTSWGPM-PREZKPSWSA-N.

Source: Phosphatidylinositol 16:1-20:4

Chemical Info

molecular Image

InChI	InChI=1S/C45H77O13P/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/h13,15,18-19,22,24,27-30,37,40-45,48-52H,3-12,14,16-17,20-21,23,25-26,31-36H2,1-2H3,(H,53,54)/b15-13-,19-18-,24-22-,29-27-,30-28-/t37?,40-,41-,42+,43-,44-,45-/m1/s1
SMILES	C(CCCCCC)=CCC=CCC=CCC=CCCC(OC(COP(OC(C(O)1)C(O)C(O)C(O)C(O)1)(O)=O)COC(=O)CCC=CCCCCCCCCCCC)=O
InChI Key	BYKLOOOZTSWGPM-PREZKPSWSA-N
Molecular Formula	C45H77O13P
Exact Mass	856.510 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	99666a2c-31d2-48a7-a48e-76367e37940d
Package id	msbnk-chubu_univ-ut002220
Resource type	HTML
State	active