CID 131769802

(4z,7e,9e,13z,16z,19z)-11-hydroxy-4,7,9,13,16,19-docosahexaenoic acid

Structural Information

Molecular Formula
C22H32O3
SMILES
CC/C=C\C/C=C\C/C=C\CC(/C=C/C=C/C/C=C\CCC(=O)O)O
InChI
InChI=1S/C22H32O3/c1-2-3-4-5-6-7-9-12-15-18-21(23)19-16-13-10-8-11-14-17-20-22(24)25/h3-4,6-7,10-16,19,21,23H,2,5,8-9,17-18,20H2,1H3,(H,24,25)/b4-3-,7-6-,13-10+,14-11-,15-12-,19-16+
InChIKey
LTERDCBCHFKFRI-KEFMQFBKSA-N
Compound name
(4Z,7E,9E,13Z,16Z,19Z)-11-hydroxydocosa-4,7,9,13,16,19-hexaenoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

344.23514 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 345.24242 193.4
[M+Na]+ 367.22436 198.9
[M+NH4]+ 362.26896 189.3
[M+K]+ 383.19830 191.3
[M-H]- 343.22786 188.5
[M+Na-2H]- 365.20981 190.2
[M]+ 344.23459 192.0
[M]- 344.23569 192.0
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.