CID 131754670

Tracylglycerol(15:0/22:2/20:1)

Structural Information

Molecular Formula
C60H110O6
SMILES
CCCCCCCCCCCCCCC(=O)OC[C@@H](COC(=O)CCCCCCCCC/C=C\CCCCCCCC)OC(=O)CCCCCCCCCCC/C=C\C/C=C\CCCCC
InChI
InChI=1S/C60H110O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-34-36-39-42-45-48-51-54-60(63)66-57(55-64-58(61)52-49-46-43-40-37-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-33-31-28-26-23-20-17-14-11-8-5-2/h16,19,25-28,57H,4-15,17-18,20-24,29-56H2,1-3H3/b19-16-,27-25-,28-26-/t57-/m0/s1
InChIKey
XHKHEYJIXZVIKL-DMJNNAIESA-N
Compound name
[(2S)-1-[(Z)-icos-11-enoyl]oxy-3-pentadecanoyloxypropan-2-yl] (13Z,16Z)-docosa-13,16-dienoate
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

0
Patents

926.83026 Da
Monoisotopic Mass

24.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 927.83754 333.7
[M+Na]+ 949.81948 333.1
[M+NH4]+ 944.86408 335.6
[M+K]+ 965.79342 337.6
[M-H]- 925.82298 315.5
[M+Na-2H]- 947.80493 326.7
[M]+ 926.82971 329.9
[M]- 926.83081 329.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.