CID 131756579

1-arachidonyl-2-arachidonyl-3-vaccenoyl-glycerol

Structural Information

Molecular Formula
C61H116O6
SMILES
CCCCCCCCCCCCCCCCCCCC(=O)OC[C@@H](COC(=O)CCCCCCCCC/C=C\CCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCC
InChI
InChI=1S/C61H116O6/c1-4-7-10-13-16-19-22-25-28-30-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-32-27-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h21,24,58H,4-20,22-23,25-57H2,1-3H3/b24-21-/t58-/m1/s1
InChIKey
QFLCNOQGBBZIBN-ZKVGIWGASA-N
Compound name
[(2S)-2-icosanoyloxy-3-[(Z)-octadec-11-enoyl]oxypropyl] icosanoate
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

0
Patents

944.8772 Da
Monoisotopic Mass

26.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 945.88448 340.0
[M+Na]+ 967.86642 338.5
[M+NH4]+ 962.91102 342.0
[M+K]+ 983.84036 343.5
[M-H]- 943.86992 320.0
[M+Na-2H]- 965.85187 332.0
[M]+ 944.87665 335.6
[M]- 944.87775 335.6
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.