CID 131765229

Tracylglycerol(22:4/15:0/18:0)

Structural Information

Molecular Formula
C58H106O5
SMILES
CCCCCCCCCCCCCCCCCCOC[C@H](COC(=O)CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC)OC(=O)CCCCCCCCCCCCCC
InChI
InChI=1S/C58H106O5/c1-4-7-10-13-16-19-22-25-27-29-30-31-32-34-37-39-42-45-48-51-57(59)62-55-56(63-58(60)52-49-46-43-40-36-24-21-18-15-12-9-6-3)54-61-53-50-47-44-41-38-35-33-28-26-23-20-17-14-11-8-5-2/h16,19,25,27,30-31,34,37,56H,4-15,17-18,20-24,26,28-29,32-33,35-36,38-55H2,1-3H3/b19-16-,27-25-,31-30-,37-34-/t56-/m1/s1
InChIKey
HDEGSNZKEZNQTG-VCYUSANISA-N
Compound name
[(2R)-3-octadecoxy-2-pentadecanoyloxypropyl] (7Z,10Z,13Z,16Z)-docosa-7,10,13,16-tetraenoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

882.804 Da
Monoisotopic Mass

23.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 883.81128 319.3
[M+Na]+ 905.79322 323.6
[M-H]- 881.79672 300.6
[M+NH4]+ 900.83782 324.6
[M+K]+ 921.76716 332.3
[M+H-H2O]+ 865.80126 318.7
[M+HCOO]- 927.80220 318.1
[M+CH3COO]- 941.81785 316.6
[M+Na-2H]- 903.77867 297.1
[M]+ 882.80345 320.1
[M]- 882.80455 320.1
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.