CID 53478569

Diacylglycerol(24:0/24:1)

Structural Information

Molecular Formula
C51H98O5
SMILES
CCCCCCCCCCCCCCCCCCCCCCCC(=O)OC[C@H](CO)OC(=O)CCCCCCCCCCCCC/C=C\CCCCCCCC
InChI
InChI=1S/C51H98O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-43-45-50(53)55-48-49(47-52)56-51(54)46-44-42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h18,20,49,52H,3-17,19,21-48H2,1-2H3/b20-18-/t49-/m0/s1
InChIKey
RJGNSCAELILYGZ-VAACDTGZSA-N
Compound name
[(2S)-3-hydroxy-2-[(Z)-tetracos-15-enoyl]oxypropyl] tetracosanoate
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

0
Patents

790.74146 Da
Monoisotopic Mass

21.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 791.74874 305.9
[M+Na]+ 813.73068 305.3
[M+NH4]+ 808.77528 306.1
[M+K]+ 829.70462 307.9
[M-H]- 789.73418 286.9
[M+Na-2H]- 811.71613 300.2
[M]+ 790.74091 301.2
[M]- 790.74201 301.2
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.