CID 53481449

10,11-dihydro-leukotriene b4

Structural Information

Molecular Formula
C20H34O4
SMILES
CCCCC/C=C\C[C@@H](CC/C=C/C=C\[C@@H](CCCC(=O)O)O)O
InChI
InChI=1S/C20H34O4/c1-2-3-4-5-6-9-13-18(21)14-10-7-8-11-15-19(22)16-12-17-20(23)24/h6-9,11,15,18-19,21-22H,2-5,10,12-14,16-17H2,1H3,(H,23,24)/b8-7+,9-6-,15-11-/t18-,19-/m0/s1
InChIKey
NKUPFHTVILUPKF-RNEQFKNCSA-N
Compound name
(5R,6Z,8E,12R,14Z)-5,12-dihydroxyicosa-6,8,14-trienoic acid
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

0
Patents

338.2457 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 339.25298 191.3
[M+Na]+ 361.23492 191.9
[M-H]- 337.23842 185.0
[M+NH4]+ 356.27952 202.5
[M+K]+ 377.20886 186.4
[M+H-H2O]+ 321.24296 184.8
[M+HCOO]- 383.24390 204.7
[M+CH3COO]- 397.25955 206.5
[M+Na-2H]- 359.22037 185.7
[M]+ 338.24515 192.8
[M]- 338.24625 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.