CID 131756597

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

Structural Information

Molecular Formula
C63H120O6
SMILES
CCCCCCCCCCCCCCCCCCCCCC(=O)O[C@@H](COC(=O)CCCCCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCC/C=C\CCCCCC
InChI
InChI=1S/C63H120O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h21,24,60H,4-20,22-23,25-59H2,1-3H3/b24-21-/t60-/m1/s1
InChIKey
VZNQKMLGTXDQIH-RXNSVRMPSA-N
Compound name
[(2S)-1-icosanoyloxy-3-[(Z)-octadec-11-enoyl]oxypropan-2-yl] docosanoate
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

0
Patents

972.9085 Da
Monoisotopic Mass

27.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 973.91578 345.9
[M+Na]+ 995.89772 344.2
[M+NH4]+ 990.94232 347.8
[M+K]+ 1011.8717 349.5
[M-H]- 971.90122 325.3
[M+Na-2H]- 993.88317 337.3
[M]+ 972.90795 341.3
[M]- 972.90905 341.3
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.