CID 52926494

Pg(17:0/16:0)

Structural Information

Molecular Formula
C39H77O10P
SMILES
CCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OC[C@H](CO)O)OC(=O)CCCCCCCCCCCCCCC
InChI
InChI=1S/C39H77O10P/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-38(42)46-34-37(35-48-50(44,45)47-33-36(41)32-40)49-39(43)31-29-27-25-23-21-18-16-14-12-10-8-6-4-2/h36-37,40-41H,3-35H2,1-2H3,(H,44,45)/t36-,37+/m0/s1
InChIKey
ILTOCVUJZXMWRV-PQQNNWGCSA-N
Compound name
[(2R)-3-[[(2S)-2,3-dihydroxypropoxy]-hydroxyphosphoryl]oxy-2-hexadecanoyloxypropyl] heptadecanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

736.52545 Da
Monoisotopic Mass

12.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 737.53273 281.0
[M+Na]+ 759.51467 279.8
[M-H]- 735.51817 271.4
[M+NH4]+ 754.55927 285.5
[M+K]+ 775.48861 283.2
[M+H-H2O]+ 719.52271 270.8
[M+HCOO]- 781.52365 277.1
[M+CH3COO]- 795.53930 280.4
[M+Na-2H]- 757.50012 258.2
[M]+ 736.52490 279.8
[M]- 736.52600 279.8
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.