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1-hexadecanoyl-2--(5Z,8Z,11Z,14Z-eicosatetraeno...

URL: https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Antwerp_Univ-METOX_N107706_FB57

Dataset description:

This MassBank record with Accession MSBNK-Antwerp_Univ-METOX_N107706_FB57 contains the MS2 mass spectrum of 1-hexadecanoyl-2--(5Z,8Z,11Z,14Z-eicosatetraenoyl)-sn-glycero-3-phosphocholine...

Source: 1-hexadecanoyl-2--(5Z,8Z,11Z,14Z-eicosatetraenoyl)-sn-glycero-3-phosphocholine

Chemical Info

molecular Image

InChI	InChI=1S/C44H80NO8P/c1-6-8-10-12-14-16-18-20-21-22-23-25-27-29-31-33-35-37-44(47)53-42(41-52-54(48,49)51-39-38-45(3,4)5)40-50-43(46)36-34-32-30-28-26-24-19-17-15-13-11-9-7-2/h14,16,20-21,23,25,29,31,42H,6-13,15,17-19,22,24,26-28,30,32-41H2,1-5H3/b16-14-,21-20-,25-23-,31-29-/t42-/m1/s1
SMILES	CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC
InChI Key	IIZPXYDJLKNOIY-JXPKJXOSSA-N
Molecular Formula	C44H80NO8P
Exact Mass	781.562 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 4.0 International (CC BY 4.0)
Id	cbe90e0d-2e8b-4e90-9f03-3489825fbe1e
Package id	msbnk-antwerp_univ-metox_n107706_fb57
Resource type	HTML
State	active