CID 131841378

Pg(16:0/18:0(11cp))

Structural Information

Molecular Formula
C41H79O10P
SMILES
CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OC[C@H](CO)O)OC(=O)CCCCCCCCC[C@@H]1C[C@@H]1CCCCCC
InChI
InChI=1S/C41H79O10P/c1-3-5-7-9-10-11-12-13-14-15-18-21-25-29-40(44)48-34-39(35-50-52(46,47)49-33-38(43)32-42)51-41(45)30-26-22-19-16-17-20-24-28-37-31-36(37)27-23-8-6-4-2/h36-39,42-43H,3-35H2,1-2H3,(H,46,47)/t36-,37+,38-,39+/m0/s1
InChIKey
SVTCSHZHAPWHDA-FHEXXAODSA-N
Compound name
[(2R)-3-[[(2S)-2,3-dihydroxypropoxy]-hydroxyphosphoryl]oxy-2-[10-[(1R,2S)-2-hexylcyclopropyl]decanoyloxy]propyl] hexadecanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

762.5411 Da
Monoisotopic Mass

13.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 763.54838 284.7
[M+Na]+ 785.53032 284.9
[M-H]- 761.53382 274.3
[M+NH4]+ 780.57492 289.5
[M+K]+ 801.50426 287.7
[M+H-H2O]+ 745.53836 275.7
[M+HCOO]- 807.53930 283.6
[M+CH3COO]- 821.55495 284.4
[M+Na-2H]- 783.51577 263.4
[M]+ 762.54055 289.8
[M]- 762.54165 289.8
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.