CID 56939048

1-pentadecanoyl-2-eicosanoyl-3-(11z,14z-eicosadienoyl)-sn-glycerol

Structural Information

Molecular Formula
C58H108O6
SMILES
CCCCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCC)COC(=O)CCCCCCCCC/C=C\C/C=C\CCCCC
InChI
InChI=1S/C58H108O6/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/h16,19,25,27,55H,4-15,17-18,20-24,26,28-54H2,1-3H3/b19-16-,27-25-/t55-/m1/s1
InChIKey
IQBKCEKLAHDILC-RLIOHNKCSA-N
Compound name
[(2R)-1-[(11Z,14Z)-icosa-11,14-dienoyl]oxy-3-pentadecanoyloxypropan-2-yl] icosanoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

900.8146 Da
Monoisotopic Mass

24.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 901.821876 323.7
[M+Na]+ 923.803818 327.5
[M-H]- 899.807324 306.4
[M+NH4]+ 918.848423 331.1
[M+K]+ 939.777758 337.0
[M+H-H2O]+ 883.811860 323.8
[M+HCOO]- 945.812801 319.2
[M+CH3COO]- 959.828451 319.3
[M+Na-2H]- 921.789266 301.3
[M]+ 900.81405142 325.5
[M]- 900.81514858 325.5
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.