CID 56936705

1-pentadecanoyl-2,3-dieicosanoyl-sn-glycerol

Structural Information

Molecular Formula
C58H112O6
SMILES
CCCCCCCCCCCCCCCCCCCC(=O)OC[C@@H](COC(=O)CCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCC
InChI
InChI=1S/C58H112O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-36-39-42-45-48-51-57(60)63-54-55(53-62-56(59)50-47-44-41-38-35-24-21-18-15-12-9-6-3)64-58(61)52-49-46-43-40-37-34-32-30-28-26-23-20-17-14-11-8-5-2/h55H,4-54H2,1-3H3/t55-/m1/s1
InChIKey
DUAOGLQEBJPDLW-KZRJWCEASA-N
Compound name
[(2R)-2-icosanoyloxy-3-pentadecanoyloxypropyl] icosanoate
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

0
Patents

904.8459 Da
Monoisotopic Mass

25.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 905.85318 332.8
[M+Na]+ 927.83512 331.1
[M+NH4]+ 922.87972 334.9
[M+K]+ 943.80906 335.6
[M-H]- 903.83862 313.0
[M+Na-2H]- 925.82057 325.2
[M]+ 904.84535 328.3
[M]- 904.84645 328.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.