CID 131754972

Tracylglycerol(16:0/15:0/20:0)

Structural Information

Molecular Formula
C54H104O6
SMILES
CCCCCCCCCCCCCCCCCCCC(=O)OC[C@H](COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCC
InChI
InChI=1S/C54H104O6/c1-4-7-10-13-16-19-22-25-26-27-28-30-33-35-38-41-44-47-53(56)59-50-51(60-54(57)48-45-42-39-36-31-24-21-18-15-12-9-6-3)49-58-52(55)46-43-40-37-34-32-29-23-20-17-14-11-8-5-2/h51H,4-50H2,1-3H3/t51-/m0/s1
InChIKey
LFURUBNQCYUZJX-XHIZWQFQSA-N
Compound name
[(2S)-3-hexadecanoyloxy-2-pentadecanoyloxypropyl] icosanoate
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

0
Patents

848.78326 Da
Monoisotopic Mass

23.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 849.79054 320.7
[M+Na]+ 871.77248 319.3
[M+NH4]+ 866.81708 322.9
[M+K]+ 887.74642 323.0
[M-H]- 847.77598 302.1
[M+Na-2H]- 869.75793 314.3
[M]+ 848.78271 316.4
[M]- 848.78381 316.4
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.