CID 131821850

Lysopa(20:3(5z,8z,11z)/0:0)

Structural Information

Molecular Formula
C23H41O7P
SMILES
CCCCCCCC/C=C\C/C=C\C/C=C\CCCC(=O)OCC(COP(=O)(O)O)O
InChI
InChI=1S/C23H41O7P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23(25)29-20-22(24)21-30-31(26,27)28/h9-10,12-13,15-16,22,24H,2-8,11,14,17-21H2,1H3,(H2,26,27,28)/b10-9-,13-12-,16-15-
InChIKey
GSDLIEVAGUEBCL-YOILPLPUSA-N
Compound name
(2-hydroxy-3-phosphonooxypropyl) (5Z,8Z,11Z)-icosa-5,8,11-trienoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

460.259 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 461.26628 209.9
[M+Na]+ 483.24822 213.5
[M-H]- 459.25172 203.4
[M+NH4]+ 478.29282 210.2
[M+K]+ 499.22216 208.6
[M+H-H2O]+ 443.25626 200.3
[M+HCOO]- 505.25720 219.3
[M+CH3COO]- 519.27285 226.4
[M+Na-2H]- 481.23367 195.4
[M]+ 460.25845 205.9
[M]- 460.25955 205.9
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.