CID 131757530

Tracylglycerol(22:0/24:1/22:2)

Structural Information

Molecular Formula
C71H132O6
SMILES
CCCCCCCCCCCCCCCCCCCCCC(=O)OC[C@@H](COC(=O)CCCCCCCCCCC/C=C\C/C=C\CCCCC)OC(=O)CCCCCCCCCCCCC/C=C\CCCCCCCC
InChI
InChI=1S/C71H132O6/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/h17,20,25-26,28-29,68H,4-16,18-19,21-24,27,30-67H2,1-3H3/b20-17-,28-25-,29-26-/t68-/m1/s1
InChIKey
BSHNKGFDSGZNQB-QGCHZIISSA-N
Compound name
[(2S)-1-[(13Z,16Z)-docosa-13,16-dienoyl]oxy-3-docosanoyloxypropan-2-yl] (Z)-tetracos-15-enoate
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

0
Patents

1081.0024 Da
Monoisotopic Mass

30.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 1082.0097 365.7
[M+Na]+ 1103.9916 364.1
[M+NH4]+ 1099.0362 367.4
[M+K]+ 1119.9656 370.7
[M-H]- 1079.9951 344.1
[M+Na-2H]- 1101.9771 355.5
[M]+ 1081.0019 361.2
[M]- 1081.0029 361.2
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.