CID 52924040

Lpc(22:4)

Structural Information

Molecular Formula
C30H55NO7P
SMILES
CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCCC(=O)OC[C@H](COP(=O)(O)OCC[N+](C)(C)C)O
InChI
InChI=1S/C30H54NO7P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-30(33)36-27-29(32)28-38-39(34,35)37-26-25-31(2,3)4/h9-10,12-13,15-16,18-19,29,32H,5-8,11,14,17,20-28H2,1-4H3/p+1/b10-9-,13-12-,16-15-,19-18-/t29-/m1/s1
InChIKey
ZOJBSSVHFSBHMP-JJJSWPRASA-O
Compound name
2-[[(2R)-3-[(7Z,10Z,13Z,16Z)-docosa-7,10,13,16-tetraenoyl]oxy-2-hydroxypropoxy]-hydroxyphosphoryl]oxyethyl-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

16
Patents

572.37164 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 573.37892 238.5
[M+Na]+ 595.36086 242.8
[M-H]- 571.36436 235.8
[M+NH4]+ 590.40546 243.1
[M+K]+ 611.33480 239.1
[M+H-H2O]+ 555.36890 223.1
[M+HCOO]- 617.36984 251.0
[M+CH3COO]- 631.38549 247.0
[M+Na-2H]- 593.34631 222.4
[M]+ 572.37109 234.1
[M]- 572.37219 234.1
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.