CID 165415708

Pg(22:5(7z,10z,13z,16z,19z)/0:0)

Structural Information

Molecular Formula
C28H47O9P
SMILES
CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCCC(=O)OC[C@H](COP(=O)(O)OC[C@H](CO)O)O
InChI
InChI=1S/C28H47O9P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-28(32)35-23-27(31)25-37-38(33,34)36-24-26(30)22-29/h3-4,6-7,9-10,12-13,15-16,26-27,29-31H,2,5,8,11,14,17-25H2,1H3,(H,33,34)/b4-3-,7-6-,10-9-,13-12-,16-15-/t26-,27+/m0/s1
InChIKey
SFEASCDNRVXVFA-FTTLMFSFSA-N
Compound name
[(2R)-3-[[(2S)-2,3-dihydroxypropoxy]-hydroxyphosphoryl]oxy-2-hydroxypropyl] (7Z,10Z,13Z,16Z,19Z)-docosa-7,10,13,16,19-pentaenoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

558.2958 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 559.30308 229.1
[M+Na]+ 581.28502 231.3
[M-H]- 557.28852 224.5
[M+NH4]+ 576.32962 230.6
[M+K]+ 597.25896 227.9
[M+H-H2O]+ 541.29306 218.5
[M+HCOO]- 603.29400 233.9
[M+CH3COO]- 617.30965 240.7
[M+Na-2H]- 579.27047 212.3
[M]+ 558.29525 224.2
[M]- 558.29635 224.2
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.