CID 52927406

Pg(p-20:0/17:2(9z,12z))

Structural Information

Molecular Formula
C43H81O9P
SMILES
CCCCCCCCCCCCCCCCCC/C=C\OC[C@H](COP(=O)(O)OC[C@H](CO)O)OC(=O)CCCCCCC/C=C\C/C=C\CCCC
InChI
InChI=1S/C43H81O9P/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-26-28-30-32-34-36-49-39-42(40-51-53(47,48)50-38-41(45)37-44)52-43(46)35-33-31-29-27-25-23-18-16-14-12-10-8-6-4-2/h10,12,16,18,34,36,41-42,44-45H,3-9,11,13-15,17,19-33,35,37-40H2,1-2H3,(H,47,48)/b12-10-,18-16-,36-34-/t41-,42+/m0/s1
InChIKey
GYCVZIMYSFKKCY-IJUBAKIKSA-N
Compound name
[(2R)-1-[[(2S)-2,3-dihydroxypropoxy]-hydroxyphosphoryl]oxy-3-[(Z)-icos-1-enoxy]propan-2-yl] (9Z,12Z)-heptadeca-9,12-dienoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

772.5618 Da
Monoisotopic Mass

13.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 773.56908 285.3
[M+Na]+ 795.55102 284.7
[M-H]- 771.55452 273.8
[M+NH4]+ 790.59562 288.1
[M+K]+ 811.52496 288.4
[M+H-H2O]+ 755.55906 274.2
[M+HCOO]- 817.56000 284.2
[M+CH3COO]- 831.57565 286.3
[M+Na-2H]- 793.53647 261.9
[M]+ 772.56125 283.1
[M]- 772.56235 283.1
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.