CID 131801833

Diacylglycerol(24:0/0:0/20:2)

Structural Information

Molecular Formula
C47H88O5
SMILES
CCCCCCCCCCCCCCCCCCCCCCCC(=O)OC[C@H](COC(=O)CCCCCCCCC/C=C\C/C=C\CCCCC)O
InChI
InChI=1S/C47H88O5/c1-3-5-7-9-11-13-15-17-19-21-22-23-24-26-28-30-32-34-36-38-40-42-47(50)52-44-45(48)43-51-46(49)41-39-37-35-33-31-29-27-25-20-18-16-14-12-10-8-6-4-2/h12,14,18,20,45,48H,3-11,13,15-17,19,21-44H2,1-2H3/b14-12-,20-18-/t45-/m0/s1
InChIKey
SCJAFOMLWIZEOM-LGJUANINSA-N
Compound name
[(2R)-2-hydroxy-3-[(11Z,14Z)-icosa-11,14-dienoyl]oxypropyl] tetracosanoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

732.66315 Da
Monoisotopic Mass

18.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 733.67043 288.3
[M+Na]+ 755.65237 292.2
[M-H]- 731.65587 271.6
[M+NH4]+ 750.69697 290.7
[M+K]+ 771.62631 297.4
[M+H-H2O]+ 715.66041 287.4
[M+HCOO]- 777.66135 287.7
[M+CH3COO]- 791.67700 288.4
[M+Na-2H]- 753.63782 268.4
[M]+ 732.66260 287.5
[M]- 732.66370 287.5
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.