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]+ 461.266276 209.9
[M+Na]+ 483.248218 213.5
[M-H]- 459.251724 203.4
[M+NH4]+ 478.292823 210.2
[M+K]+ 499.222158 208.6
[M+H-H2O]+ 443.256260 200.3
[M+HCOO]- 505.257201 219.3
[M+CH3COO]- 519.272851 226.4
[M+Na-2H]- 481.233666 195.4
[M]+ 460.25845142 205.9
[M]- 460.25954858 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.