CID 165415647

Pg(20:4(5z,8z,11z,14z)/24:1(15z))

Structural Information

Molecular Formula
C50H89O10P
SMILES
CCCCCCCCC/C=C\CCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC)COP(=O)(O)OC[C@H](CO)O
InChI
InChI=1S/C50H89O10P/c1-3-5-7-9-11-13-15-17-19-21-22-23-24-26-28-30-32-34-36-38-40-42-50(54)60-48(46-59-61(55,56)58-44-47(52)43-51)45-57-49(53)41-39-37-35-33-31-29-27-25-20-18-16-14-12-10-8-6-4-2/h12,14,18-21,27,29,33,35,47-48,51-52H,3-11,13,15-17,22-26,28,30-32,34,36-46H2,1-2H3,(H,55,56)/b14-12-,20-18-,21-19-,29-27-,35-33-/t47-,48+/m0/s1
InChIKey
JKIHABTYWJMIIN-LPSRFPKFSA-N
Compound name
[(2R)-1-[[(2S)-2,3-dihydroxypropoxy]-hydroxyphosphoryl]oxy-3-[(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoyl]oxypropan-2-yl] (Z)-tetracos-14-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

880.6193 Da
Monoisotopic Mass

14.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 881.62658 304.9
[M+Na]+ 903.60852 304.9
[M-H]- 879.61202 295.3
[M+NH4]+ 898.65312 310.9
[M+K]+ 919.58246 310.5
[M+H-H2O]+ 863.61656 294.0
[M+HCOO]- 925.61750 301.1
[M+CH3COO]- 939.63315 303.1
[M+Na-2H]- 901.59397 280.6
[M]+ 880.61875 304.4
[M]- 880.61985 304.4
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.