CID 53478572

Diacylglycerol(24:1/15:0)

Structural Information

Molecular Formula
C42H80O5
SMILES
CCCCCCCCCCCCCCC(=O)O[C@@H](CO)COC(=O)CCCCCCCCCCCCC/C=C\CCCCCCCC
InChI
InChI=1S/C42H80O5/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-25-27-28-30-32-34-36-41(44)46-39-40(38-43)47-42(45)37-35-33-31-29-26-16-14-12-10-8-6-4-2/h17-18,40,43H,3-16,19-39H2,1-2H3/b18-17-/t40-/m0/s1
InChIKey
MXESSGYBWUIDPK-JCEJMGBYSA-N
Compound name
[(2S)-3-hydroxy-2-pentadecanoyloxypropyl] (Z)-tetracos-15-enoate
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

0
Patents

664.6006 Da
Monoisotopic Mass

16.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 665.60788 277.1
[M+Na]+ 687.58982 277.4
[M+NH4]+ 682.63442 277.6
[M+K]+ 703.56376 278.2
[M-H]- 663.59332 261.1
[M+Na-2H]- 685.57527 274.3
[M]+ 664.60005 273.1
[M]- 664.60115 273.1
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.