CID 11610019

18-hydroxy-leukotriene b4

Structural Information

Molecular Formula
C20H32O5
SMILES
CCC(CC/C=C\C[C@H](/C=C/C=C/C=C\[C@H](CCCC(=O)O)O)O)O
InChI
InChI=1S/C20H32O5/c1-2-17(21)11-8-5-9-14-18(22)12-6-3-4-7-13-19(23)15-10-16-20(24)25/h3-7,9,12-13,17-19,21-23H,2,8,10-11,14-16H2,1H3,(H,24,25)/b4-3+,9-5-,12-6+,13-7-/t17?,18-,19+/m0/s1
InChIKey
SBXDKWTYHRBIPS-SYZIFMGCSA-N
Compound name
(5S,6Z,8E,10E,12R,14Z)-5,12,18-trihydroxyicosa-6,8,10,14-tetraenoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

352.22498 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 353.232256 192.9
[M+Na]+ 375.214198 193.2
[M-H]- 351.217704 185.3
[M+NH4]+ 370.258803 187.2
[M+K]+ 391.188138 187.5
[M+H-H2O]+ 335.222240 186.7
[M+HCOO]- 397.223181 192.2
[M+CH3COO]- 411.238831 205.8
[M+Na-2H]- 373.199646 185.7
[M]+ 352.22443142 192.5
[M]- 352.22552858 192.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe