CID 131755854

Tracylglycerol(18:0/24:0/22:0)

Structural Information

Molecular Formula
C67H130O6
SMILES
CCCCCCCCCCCCCCCCCCCCCCCC(=O)O[C@@H](COC(=O)CCCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCCCCCCC
InChI
InChI=1S/C67H130O6/c1-4-7-10-13-16-19-22-25-28-30-32-33-35-37-40-43-46-49-52-55-58-61-67(70)73-64(62-71-65(68)59-56-53-50-47-44-41-38-27-24-21-18-15-12-9-6-3)63-72-66(69)60-57-54-51-48-45-42-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h64H,4-63H2,1-3H3/t64-/m0/s1
InChIKey
XFBUVLYMXBVMEN-JVUALNACSA-N
Compound name
[(2S)-1-docosanoyloxy-3-octadecanoyloxypropan-2-yl] tetracosanoate
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

0
Patents

1030.9867 Da
Monoisotopic Mass

30.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 1031.9940 358.8
[M+Na]+ 1053.9759 356.2
[M+NH4]+ 1049.0205 360.6
[M+K]+ 1069.9499 362.5
[M-H]- 1029.9794 336.2
[M+Na-2H]- 1051.9614 348.6
[M]+ 1030.9862 353.7
[M]- 1030.9872 353.7
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.