CID 131801878

Diacylglycerol(16:1/0:0/22:2)

Structural Information

Molecular Formula
C41H74O5
SMILES
CCCCCCCC/C=C\CCCCCC(=O)OC[C@H](COC(=O)CCCCCCCCCCC/C=C\C/C=C\CCCCC)O
InChI
InChI=1S/C41H74O5/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-24-26-28-30-32-34-36-41(44)46-38-39(42)37-45-40(43)35-33-31-29-27-25-23-16-14-12-10-8-6-4-2/h11,13,17-18,23,25,39,42H,3-10,12,14-16,19-22,24,26-38H2,1-2H3/b13-11-,18-17-,25-23-/t39-/m1/s1
InChIKey
BMKBFXVOPWXEAV-DZSASSTPSA-N
Compound name
[(2S)-3-[(Z)-hexadec-7-enoyl]oxy-2-hydroxypropyl] (13Z,16Z)-docosa-13,16-dienoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

646.55365 Da
Monoisotopic Mass

14.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 647.56093 269.3
[M+Na]+ 669.54287 270.7
[M+NH4]+ 664.58747 269.8
[M+K]+ 685.51681 271.1
[M-H]- 645.54637 255.2
[M+Na-2H]- 667.52832 267.7
[M]+ 646.55310 265.9
[M]- 646.55420 265.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.