CID 131801824

Diacylglycerol(24:0/0:0/16:1)

Structural Information

Molecular Formula
C43H82O5
SMILES
CCCCCCCCCCCCCCCCCCCCCCCC(=O)OC[C@H](COC(=O)CCCCC/C=C\CCCCCCCC)O
InChI
InChI=1S/C43H82O5/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-26-28-30-32-34-36-38-43(46)48-40-41(44)39-47-42(45)37-35-33-31-29-27-25-16-14-12-10-8-6-4-2/h25,27,41,44H,3-24,26,28-40H2,1-2H3/b27-25-/t41-/m0/s1
InChIKey
MSOYMWAJYJVTSO-VTWOTZJHSA-N
Compound name
[(2R)-3-[(Z)-hexadec-7-enoyl]oxy-2-hydroxypropyl] tetracosanoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

678.6162 Da
Monoisotopic Mass

17.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 679.62348 277.8
[M+Na]+ 701.60542 281.7
[M-H]- 677.60892 261.7
[M+NH4]+ 696.65002 279.9
[M+K]+ 717.57936 285.7
[M+H-H2O]+ 661.61346 277.2
[M+HCOO]- 723.61440 277.7
[M+CH3COO]- 737.63005 278.9
[M+Na-2H]- 699.59087 258.9
[M]+ 678.61565 277.0
[M]- 678.61675 277.0
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.