CID 52926818

Pg(20:1(11z)/22:0)

Structural Information

Molecular Formula
C48H93O10P
SMILES
CCCCCCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCC/C=C\CCCCCCCC)COP(=O)(O)OC[C@H](CO)O
InChI
InChI=1S/C48H93O10P/c1-3-5-7-9-11-13-15-17-19-21-22-24-26-28-30-32-34-36-38-40-48(52)58-46(44-57-59(53,54)56-42-45(50)41-49)43-55-47(51)39-37-35-33-31-29-27-25-23-20-18-16-14-12-10-8-6-4-2/h18,20,45-46,49-50H,3-17,19,21-44H2,1-2H3,(H,53,54)/b20-18-/t45-,46+/m0/s1
InChIKey
ZJWALBTZOVFVFV-PVAJRTNESA-N
Compound name
[(2R)-1-[[(2S)-2,3-dihydroxypropoxy]-hydroxyphosphoryl]oxy-3-[(Z)-icos-11-enoyl]oxypropan-2-yl] docosanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

860.65063 Da
Monoisotopic Mass

16.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 861.65791 306.9
[M+Na]+ 883.63985 306.1
[M+NH4]+ 878.68445 311.6
[M+K]+ 899.61379 309.3
[M-H]- 859.64335 294.4
[M+Na-2H]- 881.62530 303.1
[M]+ 860.65008 304.5
[M]- 860.65118 304.5
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.