CID 53481458

12-oxo-20-dihydroxy-leukotriene b4

Structural Information

Molecular Formula
C20H30O6
SMILES
C(CCC(O)O)C/C=C\CC(=O)/C=C/C=C/C=C\[C@@H](CCCC(=O)O)O
InChI
InChI=1S/C20H30O6/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/h2,4-8,12-13,18-19,22-24H,1,3,9-11,14-16H2,(H,25,26)/b5-4+,6-2-,12-7+,13-8-/t18-/m0/s1
InChIKey
SBSLZLBZGOASJL-NZXMSVEXSA-N
Compound name
(5R,6Z,8E,10E,14Z)-5,20,20-trihydroxy-12-oxoicosa-6,8,10,14-tetraenoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

366.20422 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 367.21150 193.3
[M+Na]+ 389.19344 196.7
[M+NH4]+ 384.23804 193.3
[M+K]+ 405.16738 193.4
[M-H]- 365.19694 189.0
[M+Na-2H]- 387.17889 187.5
[M]+ 366.20367 191.7
[M]- 366.20477 191.7
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.