CID 131822218

Pa(24:1(15z)/24:1(15z))

Structural Information

Molecular Formula
C51H97O8P
SMILES
CCCCCCCC/C=C\CCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)O)OC(=O)CCCCCCCCCCCCC/C=C\CCCCCCCC
InChI
InChI=1S/C51H97O8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-43-45-50(52)57-47-49(48-58-60(54,55)56)59-51(53)46-44-42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h17-20,49H,3-16,21-48H2,1-2H3,(H2,54,55,56)/b19-17-,20-18-/t49-/m1/s1
InChIKey
MMQDSDQTZYMFST-CGACMRCQSA-N
Compound name
[(2R)-3-phosphonooxy-2-[(Z)-tetracos-15-enoyl]oxypropyl] (Z)-tetracos-15-enoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

868.6921 Da
Monoisotopic Mass

19.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 869.69938 311.0
[M+Na]+ 891.68132 311.0
[M+NH4]+ 886.72592 314.5
[M+K]+ 907.65526 313.9
[M-H]- 867.68482 295.9
[M+Na-2H]- 889.66677 306.4
[M]+ 868.69155 308.0
[M]- 868.69265 308.0
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.