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 268.7
[M+Na]+ 645.54287 269.1
[M+NH4]+ 640.58747 270.0
[M+K]+ 661.51681 269.5
[M-H]- 621.54637 253.3
[M+Na-2H]- 643.52832 266.8
[M]+ 622.55310 264.9
[M]- 622.55420 264.9
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.