CID 52927444

Pg(18:4(6z,9z,12z,15z)/0:0)

Structural Information

Molecular Formula
C24H41O9P
SMILES
CC/C=C\C/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/C24H41O9P/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/h3-4,6-7,9-10,12-13,22-23,25-27H,2,5,8,11,14-21H2,1H3,(H,29,30)/b4-3-,7-6-,10-9-,13-12-/t22-,23+/m0/s1
InChIKey
OLFYINYQDQPMDM-KPKHVZAWSA-N
Compound name
[(2R)-3-[[(2S)-2,3-dihydroxypropoxy]-hydroxyphosphoryl]oxy-2-hydroxypropyl] (6Z,9Z,12Z,15Z)-octadeca-6,9,12,15-tetraenoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

504.2488 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 505.25608 217.1
[M+Na]+ 527.23802 219.4
[M-H]- 503.24152 213.2
[M+NH4]+ 522.28262 218.4
[M+K]+ 543.21196 214.9
[M+H-H2O]+ 487.24606 206.9
[M+HCOO]- 549.24700 222.7
[M+CH3COO]- 563.26265 230.6
[M+Na-2H]- 525.22347 201.5
[M]+ 504.24825 212.4
[M]- 504.24935 212.4
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.