CID 53480987

1-eicsoatetraenoyl-glycerol

Structural Information

Molecular Formula
C23H38O4
SMILES
CC/C=C\C/C=C\C/C=C\C/C=C\CCCCCCC(=O)OC[C@H](CO)O
InChI
InChI=1S/C23H38O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23(26)27-21-22(25)20-24/h3-4,6-7,9-10,12-13,22,24-25H,2,5,8,11,14-21H2,1H3/b4-3-,7-6-,10-9-,13-12-/t22-/m0/s1
InChIKey
LWXLRBPWKGXXED-FZLOBDGKSA-N
Compound name
[(2S)-2,3-dihydroxypropyl] (8Z,11Z,14Z,17Z)-icosa-8,11,14,17-tetraenoate
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

0
Patents

378.277 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 379.28428 201.9
[M+Na]+ 401.26622 206.5
[M+NH4]+ 396.31082 201.4
[M+K]+ 417.24016 202.6
[M-H]- 377.26972 196.9
[M+Na-2H]- 399.25167 198.2
[M]+ 378.27645 200.3
[M]- 378.27755 200.3
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.