CID 52929202

Pa(20:3(8z,11z,14z)/20:3(8z,11z,14z))

Structural Information

Molecular Formula
C43H73O8P
SMILES
CCCCC/C=C\C/C=C\C/C=C\CCCCCCC(=O)OC[C@H](COP(=O)(O)O)OC(=O)CCCCCC/C=C\C/C=C\C/C=C\CCCCC
InChI
InChI=1S/C43H73O8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-42(44)49-39-41(40-50-52(46,47)48)51-43(45)38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h11-14,17-20,23-26,41H,3-10,15-16,21-22,27-40H2,1-2H3,(H2,46,47,48)/b13-11-,14-12-,19-17-,20-18-,25-23-,26-24-/t41-/m1/s1
InChIKey
LVBMEMRDAYDJBL-NMJXYPBASA-N
Compound name
[(2R)-2-[(8Z,11Z,14Z)-icosa-8,11,14-trienoyl]oxy-3-phosphonooxypropyl] (8Z,11Z,14Z)-icosa-8,11,14-trienoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

748.50433 Da
Monoisotopic Mass

12.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 749.51161 277.1
[M+Na]+ 771.49355 279.8
[M+NH4]+ 766.53815 280.8
[M+K]+ 787.46749 280.6
[M-H]- 747.49705 267.8
[M+Na-2H]- 769.47900 276.8
[M]+ 748.50378 275.8
[M]- 748.50488 275.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.