CID 53480995

Mg(22:6(4z,7z,10z,13z,16z,19z)/0:0/0:0)

Structural Information

Molecular Formula
C25H38O4
SMILES
CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)OC[C@H](CO)O
InChI
InChI=1S/C25H38O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-25(28)29-23-24(27)22-26/h3-4,6-7,9-10,12-13,15-16,18-19,24,26-27H,2,5,8,11,14,17,20-23H2,1H3/b4-3-,7-6-,10-9-,13-12-,16-15-,19-18-/t24-/m0/s1
InChIKey
JWPHORDRFVRZPP-PJEZTNATSA-N
Compound name
[(2S)-2,3-dihydroxypropyl] (4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoate
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

1
References

58
Patents

402.277 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 403.28428 208.6
[M+Na]+ 425.26622 208.5
[M+NH4]+ 420.31082 203.1
[M+K]+ 441.24016 205.3
[M-H]- 401.26972 195.6
[M+Na-2H]- 423.25167 204.3
[M]+ 402.27645 201.9
[M]- 402.27755 201.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.