CID 131753472

1-myristoyl-2-palmitoleoyl-3-stearyl-glycerol

Structural Information

Molecular Formula
C51H98O5
SMILES
CCCCCCCCCCCCCCCCCCOC[C@H](COC(=O)CCCCCCCCCCCCC)OC(=O)CCCCCCC/C=C\CCCCCC
InChI
InChI=1S/C51H98O5/c1-4-7-10-13-16-19-22-24-25-26-28-31-34-37-40-43-46-54-47-49(48-55-50(52)44-41-38-35-32-29-21-18-15-12-9-6-3)56-51(53)45-42-39-36-33-30-27-23-20-17-14-11-8-5-2/h20,23,49H,4-19,21-22,24-48H2,1-3H3/b23-20-/t49-/m1/s1
InChIKey
FAAFHQFZPIFMNZ-KMTXBVSESA-N
Compound name
[(2R)-1-octadecoxy-3-tetradecanoyloxypropan-2-yl] (Z)-hexadec-9-enoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

790.74146 Da
Monoisotopic Mass

21.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 791.74874 307.6
[M+Na]+ 813.73068 306.9
[M+NH4]+ 808.77528 308.6
[M+K]+ 829.70462 309.7
[M-H]- 789.73418 288.4
[M+Na-2H]- 811.71613 301.9
[M]+ 790.74091 303.0
[M]- 790.74201 303.0
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.