CID 53478218

Diacylglycerol(20:1/24:1)

Structural Information

Molecular Formula
C47H88O5
SMILES
CCCCCCCC/C=C\CCCCCCCCCCCCCC(=O)O[C@@H](CO)COC(=O)CCCCCCCCC/C=C\CCCCCCCC
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)52-45(43-48)44-51-46(49)41-39-37-35-33-31-29-27-25-20-18-16-14-12-10-8-6-4-2/h17-20,45,48H,3-16,21-44H2,1-2H3/b19-17-,20-18-/t45-/m0/s1
InChIKey
DOBBBDWFEQVEFW-DZSRQPACSA-N
Compound name
[(2S)-1-hydroxy-3-[(Z)-icos-11-enoyl]oxypropan-2-yl] (Z)-tetracos-15-enoate
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

0
Patents

732.66315 Da
Monoisotopic Mass

18.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 733.67043 291.2
[M+Na]+ 755.65237 291.5
[M+NH4]+ 750.69697 291.5
[M+K]+ 771.62631 293.2
[M-H]- 731.65587 274.3
[M+Na-2H]- 753.63782 287.2
[M]+ 732.66260 287.1
[M]- 732.66370 287.1
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.