CID 52926800

Pg(20:1(11z)/16:1(9z))

Structural Information

Molecular Formula
C42H79O10P
SMILES
CCCCCCCC/C=C\CCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OC[C@H](CO)O)OC(=O)CCCCCCC/C=C\CCCCCC
InChI
InChI=1S/C42H79O10P/c1-3-5-7-9-11-13-15-17-18-19-20-22-23-25-27-29-31-33-41(45)49-37-40(38-51-53(47,48)50-36-39(44)35-43)52-42(46)34-32-30-28-26-24-21-16-14-12-10-8-6-4-2/h14,16-18,39-40,43-44H,3-13,15,19-38H2,1-2H3,(H,47,48)/b16-14-,18-17-/t39-,40+/m0/s1
InChIKey
YGIWIMBMRVMGJW-IAMWQIMGSA-N
Compound name
[(2R)-3-[[(2S)-2,3-dihydroxypropoxy]-hydroxyphosphoryl]oxy-2-[(Z)-hexadec-9-enoyl]oxypropyl] (Z)-icos-11-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

774.5411 Da
Monoisotopic Mass

12.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 775.54838 286.2
[M+Na]+ 797.53032 285.7
[M-H]- 773.53382 277.2
[M+NH4]+ 792.57492 291.3
[M+K]+ 813.50426 289.5
[M+H-H2O]+ 757.53836 275.9
[M+HCOO]- 819.53930 282.9
[M+CH3COO]- 833.55495 285.9
[M+Na-2H]- 795.51577 263.3
[M]+ 774.54055 285.0
[M]- 774.54165 285.0
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.