CID 131820806

Pe-nme(22:6(4z,7z,10z,13z,16z,19z)/22:2(13z,16z))

Structural Information

Molecular Formula
C50H84NO8P
SMILES
CCCCC/C=C\C/C=C\CCCCCCCCCCCC(=O)OC(COC(=O)CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC)COP(=O)(O)OCCNC
InChI
InChI=1S/C50H84NO8P/c1-4-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-38-40-42-49(52)56-46-48(47-58-60(54,55)57-45-44-51-3)59-50(53)43-41-39-37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-5-2/h6,8,12-15,18-21,24,26,30,32,36,38,48,51H,4-5,7,9-11,16-17,22-23,25,27-29,31,33-35,37,39-47H2,1-3H3,(H,54,55)/b8-6-,14-12-,15-13-,20-18-,21-19-,26-24-,32-30-,38-36-
InChIKey
OAWNZQAYQRNPLY-DGPNTYMFSA-N
Compound name
[1-[(4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoyl]oxy-3-[hydroxy-[2-(methylamino)ethoxy]phosphoryl]oxypropan-2-yl] (13Z,16Z)-docosa-13,16-dienoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

857.59344 Da
Monoisotopic Mass

11.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 858.60072 302.4
[M+Na]+ 880.58266 307.6
[M+NH4]+ 875.62726 307.2
[M+K]+ 896.55660 308.8
[M-H]- 856.58616 294.4
[M+Na-2H]- 878.56811 301.3
[M]+ 857.59289 302.4
[M]- 857.59399 302.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.