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 308.4
[M+Na]+ 891.68132 307.9
[M-H]- 867.68482 293.6
[M+NH4]+ 886.72592 312.6
[M+K]+ 907.65526 315.0
[M+H-H2O]+ 851.68936 297.6
[M+HCOO]- 913.69030 306.0
[M+CH3COO]- 927.70595 307.5
[M+Na-2H]- 889.66677 283.1
[M]+ 868.69155 307.8
[M]- 868.69265 307.8
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.