CID 52926398

Pg(14:1(9z)/21:0)

Structural Information

Molecular Formula
C41H79O10P
SMILES
CCCCCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC/C=C\CCCC)COP(=O)(O)OC[C@H](CO)O
InChI
InChI=1S/C41H79O10P/c1-3-5-7-9-11-13-15-16-17-18-19-20-21-23-25-27-29-31-33-41(45)51-39(37-50-52(46,47)49-35-38(43)34-42)36-48-40(44)32-30-28-26-24-22-14-12-10-8-6-4-2/h10,12,38-39,42-43H,3-9,11,13-37H2,1-2H3,(H,46,47)/b12-10-/t38-,39+/m0/s1
InChIKey
ILDWNJKEBWLREM-DCLNZNATSA-N
Compound name
[(2R)-1-[[(2S)-2,3-dihydroxypropoxy]-hydroxyphosphoryl]oxy-3-[(Z)-tetradec-9-enoyl]oxypropan-2-yl] henicosanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

762.5411 Da
Monoisotopic Mass

12.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 763.54838 285.2
[M+Na]+ 785.53032 284.3
[M-H]- 761.53382 275.7
[M+NH4]+ 780.57492 290.0
[M+K]+ 801.50426 288.0
[M+H-H2O]+ 745.53836 274.9
[M+HCOO]- 807.53930 281.4
[M+CH3COO]- 821.55495 284.5
[M+Na-2H]- 783.51577 262.2
[M]+ 762.54055 284.1
[M]- 762.54165 284.1
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.