CID 85540151

1-eicosapentaenoylglycerol

Structural Information

Molecular Formula
C23H36O4
SMILES
CCCCCCCCCC=CC=CC=CC=CC=CC(=O)OCC(CO)O
InChI
InChI=1S/C23H36O4/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/h10-19,22,24-25H,2-9,20-21H2,1H3
InChIKey
KFWNEOJLDXABRC-UHFFFAOYSA-N
Compound name
2,3-dihydroxypropyl icosa-2,4,6,8,10-pentaenoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

194
Patents

376.26135 Da
Monoisotopic Mass

6.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 377.26863 200.7
[M+Na]+ 399.25057 201.6
[M-H]- 375.25407 195.4
[M+NH4]+ 394.29517 197.8
[M+K]+ 415.22451 194.5
[M+H-H2O]+ 359.25861 193.7
[M+HCOO]- 421.25955 209.6
[M+CH3COO]- 435.27520 213.5
[M+Na-2H]- 397.23602 195.6
[M]+ 376.26080 204.4
[M]- 376.26190 204.4
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

patents stripe