CID 131755853

Tracylglycerol(18:0/24:0/20:0)

Structural Information

Molecular Formula
C65H126O6
SMILES
CCCCCCCCCCCCCCCCCCCCCCCC(=O)O[C@@H](COC(=O)CCCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCCCCC
InChI
InChI=1S/C65H126O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-35-38-41-44-47-50-53-56-59-65(68)71-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)61-70-64(67)58-55-52-49-46-43-40-37-34-29-26-23-20-17-14-11-8-5-2/h62H,4-61H2,1-3H3/t62-/m0/s1
InChIKey
MKEGZPSKUSYOIM-PNVGIOEQSA-N
Compound name
[(2S)-1-icosanoyloxy-3-octadecanoyloxypropan-2-yl] tetracosanoate
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

0
Patents

1002.95544 Da
Monoisotopic Mass

29.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 1003.9627 353.2
[M+Na]+ 1025.9447 350.8
[M+NH4]+ 1020.9893 355.0
[M+K]+ 1041.9186 356.7
[M-H]- 1001.9482 331.2
[M+Na-2H]- 1023.9301 343.6
[M]+ 1002.9549 348.2
[M]- 1002.9560 348.2
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.