CID 9545370

1-heptadecanoyl-2,3-didocosanoyl-sn-glycerol

Structural Information

Molecular Formula
C64H124O6
SMILES
CCCCCCCCCCCCCCCCCCCCCC(=O)OC[C@@H](COC(=O)CCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC
InChI
InChI=1S/C64H124O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-36-39-42-45-48-51-54-57-63(66)69-60-61(59-68-62(65)56-53-50-47-44-41-38-27-24-21-18-15-12-9-6-3)70-64(67)58-55-52-49-46-43-40-37-35-33-31-29-26-23-20-17-14-11-8-5-2/h61H,4-60H2,1-3H3/t61-/m1/s1
InChIKey
VOPZDNBBRZSVRD-QRXDBQBNSA-N
Compound name
[(2R)-2-docosanoyloxy-3-heptadecanoyloxypropyl] docosanoate
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

0
Patents

988.9398 Da
Monoisotopic Mass

29.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 989.94708 350.3
[M+Na]+ 1011.9290 348.1
[M+NH4]+ 1006.9736 352.2
[M+K]+ 1027.9030 353.8
[M-H]- 987.93252 328.7
[M+Na-2H]- 1009.9145 341.0
[M]+ 988.93925 345.4
[M]- 988.94035 345.4
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.