CID 11660820

2-eicosapentaenoyl-glycerol

Structural Information

Molecular Formula
C23H36O4
SMILES
CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)OC(CO)CO
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)27-22(20-24)21-25/h3-4,6-7,9-10,12-13,15-16,22,24-25H,2,5,8,11,14,17-21H2,1H3/b4-3-,7-6-,10-9-,13-12-,16-15-
InChIKey
IXSYVBCFIGEECR-JLNKQSITSA-N
Compound name
1,3-dihydroxypropan-2-yl (5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoate
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

25
Patents

376.26135 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 377.26863 201.1
[M+Na]+ 399.25057 205.8
[M+NH4]+ 394.29517 198.7
[M+K]+ 415.22451 200.3
[M-H]- 375.25407 191.0
[M+Na-2H]- 397.23602 197.3
[M]+ 376.26080 199.4
[M]- 376.26190 199.4
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