CID 53481528

6,7-dihydro-5-oxo-12-epi-ltb4

Structural Information

Molecular Formula
C20H32O4
SMILES
CCCCC/C=C\C[C@H](/C=C/C=C/CCC(=O)CCCC(=O)O)O
InChI
InChI=1S/C20H32O4/c1-2-3-4-5-6-9-13-18(21)14-10-7-8-11-15-19(22)16-12-17-20(23)24/h6-10,14,18,21H,2-5,11-13,15-17H2,1H3,(H,23,24)/b8-7+,9-6-,14-10+/t18-/m1/s1
InChIKey
RUTQOBJLGHUCJC-ATHKOCGESA-N
Compound name
(8E,10E,12R,14Z)-12-hydroxy-5-oxoicosa-8,10,14-trienoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

336.23007 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 337.237346 189.0
[M+Na]+ 359.219288 190.5
[M-H]- 335.222794 184.2
[M+NH4]+ 354.263893 201.1
[M+K]+ 375.193228 185.2
[M+H-H2O]+ 319.227330 182.5
[M+HCOO]- 381.228271 204.2
[M+CH3COO]- 395.243921 208.1
[M+Na-2H]- 357.204736 184.1
[M]+ 336.22952142 191.9
[M]- 336.23061858 191.9
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.