CID 5283535

Pa(21:4(6z,9z,12z,15z)/0:0)

Structural Information

Molecular Formula
C24H41O7P
SMILES
CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC(=O)OC[C@H](COP(=O)(O)O)O
InChI
InChI=1S/C24H41O7P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-24(26)30-21-23(25)22-31-32(27,28)29/h6-7,9-10,12-13,15-16,23,25H,2-5,8,11,14,17-22H2,1H3,(H2,27,28,29)/b7-6-,10-9-,13-12-,16-15-/t23-/m1/s1
InChIKey
QGRGKKKASAUUCG-MDGVENSFSA-N
Compound name
[(2R)-2-hydroxy-3-phosphonooxypropyl] (6Z,9Z,12Z,15Z)-henicosa-6,9,12,15-tetraenoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

472.259 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 473.26628 211.4
[M+Na]+ 495.24822 215.4
[M-H]- 471.25172 205.4
[M+NH4]+ 490.29282 212.1
[M+K]+ 511.22216 210.5
[M+H-H2O]+ 455.25626 201.8
[M+HCOO]- 517.25720 221.3
[M+CH3COO]- 531.27285 227.8
[M+Na-2H]- 493.23367 197.0
[M]+ 472.25845 207.2
[M]- 472.25955 207.2
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.