CID 131754792

Tracylglycerol(15:0/18:4/20:2)

Structural Information

Molecular Formula
C56H96O6
SMILES
CCCCCCCCCCCCCCC(=O)OC[C@@H](COC(=O)CCCCCCCCC/C=C\C/C=C\CCCCC)OC(=O)CCCC/C=C\C/C=C\C/C=C\C/C=C\CC
InChI
InChI=1S/C56H96O6/c1-4-7-10-13-16-19-22-25-27-28-30-31-34-37-40-43-46-49-55(58)61-52-53(51-60-54(57)48-45-42-39-36-33-24-21-18-15-12-9-6-3)62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-20,25-27,29,35,38,53H,4-7,9-10,12-15,18,21-24,28,30-34,36-37,39-52H2,1-3H3/b11-8-,19-16-,20-17-,27-25-,29-26-,38-35-/t53-/m0/s1
InChIKey
WOGKPIGFDQNJSC-WACZYAAUSA-N
Compound name
[(2S)-2-[(6Z,9Z,12Z,15Z)-octadeca-6,9,12,15-tetraenoyl]oxy-3-pentadecanoyloxypropyl] (11Z,14Z)-icosa-11,14-dienoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

864.7207 Da
Monoisotopic Mass

20.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 865.72798 315.7
[M+Na]+ 887.70992 316.9
[M+NH4]+ 882.75452 317.8
[M+K]+ 903.68386 320.3
[M-H]- 863.71342 301.2
[M+Na-2H]- 885.69537 311.2
[M]+ 864.72015 313.1
[M]- 864.72125 313.1
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.