CID 131758042

Tracylglycerol(24:0/16:1/16:1)

Structural Information

Molecular Formula
C59H110O6
SMILES
CCCCCCCCCCCCCCCCCCCCCCCC(=O)OC[C@@H](COC(=O)CCCCCCC/C=C\CCCCCC)OC(=O)CCCCCCC/C=C\CCCCCC
InChI
InChI=1S/C59H110O6/c1-4-7-10-13-16-19-22-25-26-27-28-29-30-31-32-35-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-34-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-23-20-17-14-11-8-5-2/h20-21,23-24,56H,4-19,22,25-55H2,1-3H3/b23-20-,24-21-/t56-/m1/s1
InChIKey
JKLQMZASXAUKDG-ZLUYPCRLSA-N
Compound name
[(2S)-2,3-bis[[(Z)-hexadec-9-enoyl]oxy]propyl] tetracosanoate
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

0
Patents

914.83026 Da
Monoisotopic Mass

24.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 915.83754 332.4
[M+Na]+ 937.81948 331.5
[M+NH4]+ 932.86408 334.4
[M+K]+ 953.79342 335.9
[M-H]- 913.82298 313.8
[M+Na-2H]- 935.80493 325.3
[M]+ 914.82971 328.4
[M]- 914.83081 328.4
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.