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
2
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 193.7
[M-H]- 365.19694 185.7
[M+NH4]+ 384.23804 188.3
[M+K]+ 405.16738 188.0
[M+H-H2O]+ 349.20148 186.9
[M+HCOO]- 411.20242 193.1
[M+CH3COO]- 425.21807 207.1
[M+Na-2H]- 387.17889 186.4
[M]+ 366.20367 193.7
[M]- 366.20477 193.7
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.