CID 146672382

3-o-phytanylglyceryl phosphate

Structural Information

Molecular Formula
C23H49O6P
SMILES
C[C@H](CCC[C@H](C)CCCC(C)C)CCC[C@@H](C)CCOC[C@@H](COP(=O)(O)O)O
InChI
InChI=1S/C23H49O6P/c1-19(2)9-6-10-20(3)11-7-12-21(4)13-8-14-22(5)15-16-28-17-23(24)18-29-30(25,26)27/h19-24H,6-18H2,1-5H3,(H2,25,26,27)/t20-,21-,22-,23+/m1/s1
InChIKey
WCBOMWXMXNCTOM-ODAXIHTASA-N
Compound name
[(2S)-2-hydroxy-3-[(3R,7R,11R)-3,7,11,15-tetramethylhexadecoxy]propyl] dihydrogen phosphate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

452.3267 Da
Monoisotopic Mass

6.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 453.33398 213.6
[M+Na]+ 475.31592 216.7
[M-H]- 451.31942 207.7
[M+NH4]+ 470.36052 216.5
[M+K]+ 491.28986 215.4
[M+H-H2O]+ 435.32396 205.4
[M+HCOO]- 497.32490 212.6
[M+CH3COO]- 511.34055 232.5
[M+Na-2H]- 473.30137 199.5
[M]+ 452.32615 210.7
[M]- 452.32725 210.7
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.