CID 52927443

Pg(18:3(6z,9z,12z)/0:0)

Structural Information

Molecular Formula
C24H43O9P
SMILES
CCCCC/C=C\C/C=C\C/C=C\CCCCC(=O)OC[C@H](COP(=O)(O)OC[C@H](CO)O)O
InChI
InChI=1S/C24H43O9P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-24(28)31-19-23(27)21-33-34(29,30)32-20-22(26)18-25/h6-7,9-10,12-13,22-23,25-27H,2-5,8,11,14-21H2,1H3,(H,29,30)/b7-6-,10-9-,13-12-/t22-,23+/m0/s1
InChIKey
CHLDMFKKCLAWKZ-CZWGOAJPSA-N
Compound name
[(2R)-3-[[(2S)-2,3-dihydroxypropoxy]-hydroxyphosphoryl]oxy-2-hydroxypropyl] (6Z,9Z,12Z)-octadeca-6,9,12-trienoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

506.26447 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 507.27175 219.2
[M+Na]+ 529.25369 220.9
[M-H]- 505.25719 214.5
[M+NH4]+ 524.29829 220.1
[M+K]+ 545.22763 216.8
[M+H-H2O]+ 489.26173 209.0
[M+HCOO]- 551.26267 224.0
[M+CH3COO]- 565.27832 232.0
[M+Na-2H]- 527.23914 203.1
[M]+ 506.26392 214.7
[M]- 506.26502 214.7
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.