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
2
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]+ 379.284276 202.2
[M+Na]+ 401.266218 202.7
[M-H]- 377.269724 196.8
[M+NH4]+ 396.310823 199.5
[M+K]+ 417.240158 196.2
[M+H-H2O]+ 361.274260 195.0
[M+HCOO]- 423.275201 210.8
[M+CH3COO]- 437.290851 214.9
[M+Na-2H]- 399.251666 197.0
[M]+ 378.27645142 206.6
[M]- 378.27754858 206.6
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.