CID 71768168

1-palmityl-2-acetyl-3-oleoyl-sn-glycerol

Structural Information

Molecular Formula
C39H74O5
SMILES
CCCCCCCCCCCCCCCCOC[C@H](COC(=O)CCCCCCC/C=C\CCCCCCCC)OC(=O)C
InChI
InChI=1S/C39H74O5/c1-4-6-8-10-12-14-16-18-20-21-23-25-27-29-31-33-39(41)43-36-38(44-37(3)40)35-42-34-32-30-28-26-24-22-19-17-15-13-11-9-7-5-2/h18,20,38H,4-17,19,21-36H2,1-3H3/b20-18-/t38-/m1/s1
InChIKey
OBAWASFTPOOJOU-CFFKTVTHSA-N
Compound name
[(2R)-2-acetyloxy-3-hexadecoxypropyl] (Z)-octadec-9-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

622.55365 Da
Monoisotopic Mass

15.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 623.56093 265.7
[M+Na]+ 645.54287 271.3
[M-H]- 621.54637 251.6
[M+NH4]+ 640.58747 270.2
[M+K]+ 661.51681 273.6
[M+H-H2O]+ 605.55091 266.7
[M+HCOO]- 667.55185 268.9
[M+CH3COO]- 681.56750 270.5
[M+Na-2H]- 643.52832 249.2
[M]+ 622.55310 266.3
[M]- 622.55420 266.3
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.