CID 53481455

11-hydroxyeicosatetraenoate glyceryl ester

Structural Information

Molecular Formula
C23H38O5
SMILES
CCCCC/C=C\C=C\[C@H](C/C=C\C/C=C\CCCC(=O)OC(CO)CO)O
InChI
InChI=1S/C23H38O5/c1-2-3-4-5-7-10-13-16-21(26)17-14-11-8-6-9-12-15-18-23(27)28-22(19-24)20-25/h6-7,9-11,13-14,16,21-22,24-26H,2-5,8,12,15,17-20H2,1H3/b9-6-,10-7-,14-11-,16-13+/t21-/m1/s1
InChIKey
SSHLWLAPLZCWOT-XYOZOUKRSA-N
Compound name
1,3-dihydroxypropan-2-yl (5Z,8Z,11S,12E,14Z)-11-hydroxyicosa-5,8,12,14-tetraenoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

394.2719 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 395.27918 204.5
[M+Na]+ 417.26112 207.6
[M+NH4]+ 412.30572 204.0
[M+K]+ 433.23506 204.5
[M-H]- 393.26462 196.8
[M+Na-2H]- 415.24657 199.5
[M]+ 394.27135 202.1
[M]- 394.27245 202.1
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