CID 448151

2,3-bis-o-phytanyl-sn-glycerol 1-phosphate

Structural Information

Molecular Formula
C43H89O6P
SMILES
C[C@H](CCC[C@H](C)CCCC(C)C)CCC[C@@H](C)CCOC[C@@H](COP(=O)(O)O)OCC[C@H](C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C
InChI
InChI=1S/C43H89O6P/c1-35(2)17-11-19-37(5)21-13-23-39(7)25-15-27-41(9)29-31-47-33-43(34-49-50(44,45)46)48-32-30-42(10)28-16-26-40(8)24-14-22-38(6)20-12-18-36(3)4/h35-43H,11-34H2,1-10H3,(H2,44,45,46)/t37-,38-,39-,40-,41-,42-,43+/m1/s1
InChIKey
UKQGAMWGTOTQPC-ALOLAALWSA-N
Compound name
[(2S)-2,3-bis[(3R,7R,11R)-3,7,11,15-tetramethylhexadecoxy]propyl] dihydrogen phosphate
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

1
References

0
Patents

732.63965 Da
Monoisotopic Mass

16.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 733.64693 278.6
[M+Na]+ 755.62887 281.3
[M-H]- 731.63237 271.5
[M+NH4]+ 750.67347 289.8
[M+K]+ 771.60281 290.3
[M+H-H2O]+ 715.63691 271.7
[M+HCOO]- 777.63785 261.8
[M+CH3COO]- 791.65350 291.9
[M+Na-2H]- 753.61432 259.8
[M]+ 732.63910 278.7
[M]- 732.64020 278.7
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.