CID 131821916

Pa(18:1(11z)/20:3(5z,8z,11z))

Structural Information

Molecular Formula
C41H73O8P
SMILES
CCCCCCCC/C=C\C/C=C\C/C=C\CCCC(=O)O[C@H](COC(=O)CCCCCCCCC/C=C\CCCCCC)COP(=O)(O)O
InChI
InChI=1S/C41H73O8P/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-36-41(43)49-39(38-48-50(44,45)46)37-47-40(42)35-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2/h14,16-17,19,22,24,28,30,39H,3-13,15,18,20-21,23,25-27,29,31-38H2,1-2H3,(H2,44,45,46)/b16-14-,19-17-,24-22-,30-28-/t39-/m1/s1
InChIKey
SWLSYTQCNTUXLR-ZQTJDSEGSA-N
Compound name
[(2R)-1-[(Z)-octadec-11-enoyl]oxy-3-phosphonooxypropan-2-yl] (5Z,8Z,11Z)-icosa-5,8,11-trienoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

724.50433 Da
Monoisotopic Mass

13.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 725.51161 274.5
[M+Na]+ 747.49355 276.4
[M+NH4]+ 742.53815 278.2
[M+K]+ 763.46749 277.1
[M-H]- 723.49705 264.2
[M+Na-2H]- 745.47900 273.9
[M]+ 724.50378 272.7
[M]- 724.50488 272.7
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.