CID 52927261

Pg(o-16:0/20:2(11z,14z))

Structural Information

Molecular Formula
C42H81O9P
SMILES
CCCCCCCCCCCCCCCCOC[C@H](COP(=O)(O)OC[C@H](CO)O)OC(=O)CCCCCCCCC/C=C\C/C=C\CCCCC
InChI
InChI=1S/C42H81O9P/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/h11,13,17,19,40-41,43-44H,3-10,12,14-16,18,20-39H2,1-2H3,(H,46,47)/b13-11-,19-17-/t40-,41+/m0/s1
InChIKey
XJRJYPGTSZMAIK-TWOOBQCCSA-N
Compound name
[(2R)-1-[[(2S)-2,3-dihydroxypropoxy]-hydroxyphosphoryl]oxy-3-hexadecoxypropan-2-yl] (11Z,14Z)-icosa-11,14-dienoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

760.5618 Da
Monoisotopic Mass

13.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 761.56908 284.4
[M+Na]+ 783.55102 283.3
[M-H]- 759.55452 272.3
[M+NH4]+ 778.59562 286.8
[M+K]+ 799.52496 287.1
[M+H-H2O]+ 743.55906 273.3
[M+HCOO]- 805.56000 282.7
[M+CH3COO]- 819.57565 284.9
[M+Na-2H]- 781.53647 260.8
[M]+ 760.56125 282.3
[M]- 760.56235 282.3
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.