CID 52929752

1-eicosanoyl-glycero-3-phosphate

Structural Information

Molecular Formula
C23H47O7P
SMILES
CCCCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)O)O
InChI
InChI=1S/C23H47O7P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23(25)29-20-22(24)21-30-31(26,27)28/h22,24H,2-21H2,1H3,(H2,26,27,28)/t22-/m1/s1
InChIKey
NWCZIQDBEQKZSD-JOCHJYFZSA-N
Compound name
[(2R)-2-hydroxy-3-phosphonooxypropyl] icosanoate
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

0
References

5
Patents

466.30594 Da
Monoisotopic Mass

7.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 467.31322 216.7
[M+Na]+ 489.29516 218.4
[M-H]- 465.29866 207.6
[M+NH4]+ 484.33976 215.9
[M+K]+ 505.26910 214.8
[M+H-H2O]+ 449.30320 206.8
[M+HCOO]- 511.30414 223.5
[M+CH3COO]- 525.31979 230.7
[M+Na-2H]- 487.28061 200.5
[M]+ 466.30539 213.2
[M]- 466.30649 213.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.