CID 131758374

Tracylglycerol(24:0/22:4/18:0)

Structural Information

Molecular Formula
C67H124O5
SMILES
CCCCCCCCCCCCCCCCCCCCCCCC(=O)OC[C@@H](COCCCCCCCCCCCCCCCCCC)OC(=O)CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC
InChI
InChI=1S/C67H124O5/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-37-39-42-45-48-51-54-57-60-66(68)71-64-65(63-70-62-59-56-53-50-47-44-41-30-27-24-21-18-15-12-9-6-3)72-67(69)61-58-55-52-49-46-43-40-38-35-32-29-26-23-20-17-14-11-8-5-2/h17,20,26,29,35,38,43,46,65H,4-16,18-19,21-25,27-28,30-34,36-37,39-42,44-45,47-64H2,1-3H3/b20-17-,29-26-,38-35-,46-43-/t65-/m1/s1
InChIKey
BRGFEFKQQNNFQM-ZOHHFRFKSA-N
Compound name
[(2R)-2-[(7Z,10Z,13Z,16Z)-docosa-7,10,13,16-tetraenoyl]oxy-3-octadecoxypropyl] tetracosanoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

1008.9449 Da
Monoisotopic Mass

28.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 1009.9522 344.6
[M+Na]+ 1031.9341 347.5
[M-H]- 1007.9376 322.7
[M+NH4]+ 1026.9787 349.9
[M+K]+ 1047.9081 359.8
[M+H-H2O]+ 991.94216 343.3
[M+HCOO]- 1053.9431 340.3
[M+CH3COO]- 1067.9588 338.2
[M+Na-2H]- 1029.9196 319.4
[M]+ 1008.9444 346.6
[M]- 1008.9454 346.6
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.