CID 52927358

Pg(p-16:0/20:0)

Structural Information

Molecular Formula
C42H83O9P
SMILES
CCCCCCCCCCCCCCCCCCCC(=O)O[C@H](CO/C=C\CCCCCCCCCCCCCC)COP(=O)(O)OC[C@H](CO)O
InChI
InChI=1S/C42H83O9P/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-26-28-30-32-34-42(45)51-41(39-50-52(46,47)49-37-40(44)36-43)38-48-35-33-31-29-27-25-23-18-16-14-12-10-8-6-4-2/h33,35,40-41,43-44H,3-32,34,36-39H2,1-2H3,(H,46,47)/b35-33-/t40-,41+/m0/s1
InChIKey
CFTXFVQMCGNQOA-KOUDNHGOSA-N
Compound name
[(2R)-1-[[(2S)-2,3-dihydroxypropoxy]-hydroxyphosphoryl]oxy-3-[(Z)-hexadec-1-enoxy]propan-2-yl] icosanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

762.57745 Da
Monoisotopic Mass

14.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 763.58473 286.7
[M+Na]+ 785.56667 285.0
[M-H]- 761.57017 273.8
[M+NH4]+ 780.61127 288.8
[M+K]+ 801.54061 289.2
[M+H-H2O]+ 745.57471 275.5
[M+HCOO]- 807.57565 284.2
[M+CH3COO]- 821.59130 286.0
[M+Na-2H]- 783.55212 262.6
[M]+ 762.57690 284.8
[M]- 762.57800 284.8
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.