CID 56938550

1-(9z-tetradecenoyl)-2-octadecanoyl-3-docosanoyl-sn-glycerol

Structural Information

Molecular Formula
C57H108O6
SMILES
CCCCCCCCCCCCCCCCCCCCCC(=O)OC[C@@H](COC(=O)CCCCCCC/C=C\CCCC)OC(=O)CCCCCCCCCCCCCCCCC
InChI
InChI=1S/C57H108O6/c1-4-7-10-13-16-19-22-24-26-27-28-29-31-32-35-38-41-44-47-50-56(59)62-53-54(52-61-55(58)49-46-43-40-37-34-21-18-15-12-9-6-3)63-57(60)51-48-45-42-39-36-33-30-25-23-20-17-14-11-8-5-2/h15,18,54H,4-14,16-17,19-53H2,1-3H3/b18-15-/t54-/m1/s1
InChIKey
VPROCYYUGRMDKB-IXHOOSMISA-N
Compound name
[(2S)-2-octadecanoyloxy-3-[(Z)-tetradec-9-enoyl]oxypropyl] docosanoate
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

0
Patents

888.8146 Da
Monoisotopic Mass

24.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 889.82188 328.0
[M+Na]+ 911.80382 326.9
[M+NH4]+ 906.84842 330.1
[M+K]+ 927.77776 331.0
[M-H]- 887.80732 309.3
[M+Na-2H]- 909.78927 321.2
[M]+ 888.81405 323.9
[M]- 888.81515 323.9
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.