CID 131754922

1-pentadecanoyl-2-stearyl-3-arachidonyl-glycerol

Structural Information

Molecular Formula
C56H110O5
SMILES
CCCCCCCCCCCCCCCCCCCC(=O)OC[C@H](COC(=O)CCCCCCCCCCCCCC)OCCCCCCCCCCCCCCCCCC
InChI
InChI=1S/C56H110O5/c1-4-7-10-13-16-19-22-25-27-29-30-32-35-38-41-44-47-50-56(58)61-53-54(52-60-55(57)49-46-43-40-37-34-24-21-18-15-12-9-6-3)59-51-48-45-42-39-36-33-31-28-26-23-20-17-14-11-8-5-2/h54H,4-53H2,1-3H3/t54-/m0/s1
InChIKey
MAUVSNUFFVDZNS-XSMLMOGHSA-N
Compound name
[(2S)-2-octadecoxy-3-pentadecanoyloxypropyl] icosanoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

862.8353 Da
Monoisotopic Mass

25.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 863.84258 324.7
[M+Na]+ 885.82452 323.1
[M+NH4]+ 880.86912 325.6
[M+K]+ 901.79846 327.0
[M-H]- 861.82802 303.2
[M+Na-2H]- 883.80997 317.1
[M]+ 862.83475 319.5
[M]- 862.83585 319.5
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.