CID 131757345

Tracylglycerol(22:0/24:0/22:2)

Structural Information

Molecular Formula
C71H134O6
SMILES
CCCCCCCCCCCCCCCCCCCCCCCC(=O)O[C@@H](COC(=O)CCCCCCCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCC/C=C\C/C=C\CCCCC
InChI
InChI=1S/C71H134O6/c1-4-7-10-13-16-19-22-25-28-31-34-35-38-41-44-47-50-53-56-59-62-65-71(74)77-68(66-75-69(72)63-60-57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2)67-76-70(73)64-61-58-55-52-49-46-43-40-37-33-30-27-24-21-18-15-12-9-6-3/h17,20,26,29,68H,4-16,18-19,21-25,27-28,30-67H2,1-3H3/b20-17-,29-26-/t68-/m1/s1
InChIKey
YNZAUFNIAZHAPP-AVLZBURESA-N
Compound name
[(2S)-1-[(13Z,16Z)-docosa-13,16-dienoyl]oxy-3-docosanoyloxypropan-2-yl] tetracosanoate
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

0
Patents

1083.0181 Da
Monoisotopic Mass

31.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 1084.0254 367.0
[M+Na]+ 1106.0073 365.0
[M+NH4]+ 1101.0519 368.7
[M+K]+ 1121.9813 371.8
[M-H]- 1082.0108 344.7
[M+Na-2H]- 1103.9928 356.5
[M]+ 1083.0176 362.3
[M]- 1083.0186 362.3
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.