CID 53481509

20-dihydroxyleukotriene b4

Structural Information

Molecular Formula
C20H32O6
SMILES
C(CCC(O)O)C/C=C\C[C@@H](/C=C/C=C/C=C\[C@@H](CCCC(=O)O)O)O
InChI
InChI=1S/C20H32O6/c21-17(11-6-2-1-3-9-15-19(23)24)12-7-4-5-8-13-18(22)14-10-16-20(25)26/h2,4-8,12-13,17-19,21-24H,1,3,9-11,14-16H2,(H,25,26)/b5-4+,6-2-,12-7+,13-8-/t17-,18-/m0/s1
InChIKey
ZZSBUQYGAPWEOJ-RMQNAGPKSA-N
Compound name
(5R,6Z,8E,10E,12S,14Z)-5,12,20,20-tetrahydroxyicosa-6,8,10,14-tetraenoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

368.21988 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 369.22716 194.7
[M+Na]+ 391.20910 196.6
[M+NH4]+ 386.25370 194.1
[M+K]+ 407.18304 194.4
[M-H]- 367.21260 190.0
[M+Na-2H]- 389.19455 188.4
[M]+ 368.21933 192.8
[M]- 368.22043 192.8
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.