CID 131758017

Tracylglycerol(24:0/14:1/14:1)

Structural Information

Molecular Formula
C55H102O6
SMILES
CCCCCCCCCCCCCCCCCCCCCCCC(=O)OC[C@@H](COC(=O)CCCCCCC/C=C\CCCC)OC(=O)CCCCCCC/C=C\CCCC
InChI
InChI=1S/C55H102O6/c1-4-7-10-13-16-19-22-23-24-25-26-27-28-29-30-31-34-36-39-42-45-48-54(57)60-51-52(61-55(58)49-46-43-40-37-33-21-18-15-12-9-6-3)50-59-53(56)47-44-41-38-35-32-20-17-14-11-8-5-2/h14-15,17-18,52H,4-13,16,19-51H2,1-3H3/b17-14-,18-15-/t52-/m1/s1
InChIKey
MPOOLVIFRXUEDU-ZLEQKKJFSA-N
Compound name
[(2S)-2,3-bis[[(Z)-tetradec-9-enoyl]oxy]propyl] tetracosanoate
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

0
Patents

858.76764 Da
Monoisotopic Mass

22.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 859.77492 320.1
[M+Na]+ 881.75686 319.5
[M+NH4]+ 876.80146 322.2
[M+K]+ 897.73080 323.2
[M-H]- 857.76036 302.7
[M+Na-2H]- 879.74231 314.2
[M]+ 858.76709 316.3
[M]- 858.76819 316.3
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.