CID 53478994

Gpcho(20:3n9/22:5n3)

Structural Information

Molecular Formula
C50H85NO8P
SMILES
CCCCCCCC/C=C\C/C=C\C/C=C\CCCC(=O)OC[C@H](COP(=O)(O)OCC[N+](C)(C)C)OC(=O)CCCCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC
InChI
InChI=1S/C50H84NO8P/c1-6-8-10-12-14-16-18-20-22-24-25-27-29-31-33-35-37-39-41-43-50(53)59-48(47-58-60(54,55)57-45-44-51(3,4)5)46-56-49(52)42-40-38-36-34-32-30-28-26-23-21-19-17-15-13-11-9-7-2/h8,10,14,16,20-23,25,27-28,30-31,33-34,36,48H,6-7,9,11-13,15,17-19,24,26,29,32,35,37-47H2,1-5H3/p+1/b10-8-,16-14-,22-20-,23-21-,27-25-,30-28-,33-31-,36-34-/t48-/m1/s1
InChIKey
OQNAAYQWAOIMNA-VOLOXLNMSA-O
Compound name
2-[[(2R)-2-[(7Z,10Z,13Z,16Z,19Z)-docosa-7,10,13,16,19-pentaenoyl]oxy-3-[(5Z,8Z,11Z)-icosa-5,8,11-trienoyl]oxypropoxy]-hydroxyphosphoryl]oxyethyl-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

858.60126 Da
Monoisotopic Mass

13.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 859.60854 296.1
[M+Na]+ 881.59048 298.8
[M+NH4]+ 876.63508 274.7
[M+K]+ 897.56442 306.4
[M-H]- 857.59398 260.5
[M+Na-2H]- 879.57593 283.5
[M]+ 858.60071 296.6
[M]- 858.60181 296.6
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.