CID 131762449

Tracylglycerol(22:1/22:2/24:1)

Structural Information

Molecular Formula
C71H130O6
SMILES
CCCCCCCC/C=C\CCCCCCCCCCCCCC(=O)OC[C@H](COC(=O)CCCCCCCCCCC/C=C\CCCCCCCC)OC(=O)CCCCCCCCCCC/C=C\C/C=C\CCCCC
InChI
InChI=1S/C71H130O6/c1-4-7-10-13-16-19-22-25-28-31-34-35-38-40-43-46-49-52-55-58-61-64-70(73)76-67-68(77-71(74)65-62-59-56-53-50-47-44-41-37-33-30-27-24-21-18-15-12-9-6-3)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/h18,21,25-30,68H,4-17,19-20,22-24,31-67H2,1-3H3/b21-18-,28-25-,29-26-,30-27-/t68-/m0/s1
InChIKey
VPSGHRYJDZHFRE-MAKPURTBSA-N
Compound name
[(2R)-2-[(13Z,16Z)-docosa-13,16-dienoyl]oxy-3-[(Z)-docos-13-enoyl]oxypropyl] (Z)-tetracos-15-enoate
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

0
Patents

1078.9867 Da
Monoisotopic Mass

29.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 1079.9940 364.3
[M+Na]+ 1101.9759 363.2
[M+NH4]+ 1097.0205 366.0
[M+K]+ 1117.9499 369.6
[M-H]- 1077.9794 343.5
[M+Na-2H]- 1099.9614 354.5
[M]+ 1078.9862 360.1
[M]- 1078.9872 360.1
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.