CID 102321399

Chebi:197415

Structural Information

Molecular Formula
C38H75O10P
SMILES
CCCCCCCCCCCCCCCC(=O)OC[C@@H](COP(=O)(O)OC[C@H](COC(=O)CCCCCCCCCCCCCCC)O)O
InChI
InChI=1S/C38H75O10P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-37(41)45-31-35(39)33-47-49(43,44)48-34-36(40)32-46-38(42)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h35-36,39-40H,3-34H2,1-2H3,(H,43,44)/t35-,36-/m0/s1
InChIKey
PYVJQTOJILSVJY-ZPGRZCPFSA-N
Compound name
[(2S)-3-[[(2S)-3-hexadecanoyloxy-2-hydroxypropoxy]-hydroxyphosphoryl]oxy-2-hydroxypropyl] hexadecanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

722.50977 Da
Monoisotopic Mass

12.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 723.51705 277.7
[M+Na]+ 745.49899 276.7
[M-H]- 721.50249 268.5
[M+NH4]+ 740.54359 282.2
[M+K]+ 761.47293 279.6
[M+H-H2O]+ 705.50703 267.6
[M+HCOO]- 767.50797 274.2
[M+CH3COO]- 781.52362 277.8
[M+Na-2H]- 743.48444 255.3
[M]+ 722.50922 276.4
[M]- 722.51032 276.4
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.