Go to resource

Phosphatidylinositol 18:0-22:6

URL: https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Chubu_Univ-UT002952

Dataset description:

This MassBank record with Accession MSBNK-Chubu_Univ-UT002952 contains the MS2 mass spectrum of Phosphatidylinositol 18:0-22:6 with the InChIkey DJVOKHFQPGWUPK-CONVNOKZSA-N.

Source: Phosphatidylinositol 18:0-22:6

Chemical Info

molecular Image

InChI	InChI=1S/C49H83O13P/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/h5,7,11,13,17,19,21-22,26,28,32,34,41,44-49,52-56H,3-4,6,8-10,12,14-16,18,20,23-25,27,29-31,33,35-40H2,1-2H3,(H,57,58)/b7-5-,13-11-,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=CCC=CCC)=O)COC(=O)CCCCCCCCCCCCCCCCC)(O)=O)C(C1O)C(C(C(C1O)O)O)O
InChI Key	DJVOKHFQPGWUPK-CONVNOKZSA-N
Molecular Formula	C49H83O13P
Exact Mass	910.557 g/mol

There are no views created for this resource yet.

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	d9758bf3-d07a-40e1-8a03-6eeafdfecd85
Package id	msbnk-chubu_univ-ut002952
Resource type	HTML
State	active