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]+ 337.23735 189.0
[M+Na]+ 359.21929 190.5
[M-H]- 335.22279 184.2
[M+NH4]+ 354.26389 201.1
[M+K]+ 375.19323 185.2
[M+H-H2O]+ 319.22733 182.5
[M+HCOO]- 381.22827 204.2
[M+CH3COO]- 395.24392 208.1
[M+Na-2H]- 357.20474 184.1
[M]+ 336.22952 191.9
[M]- 336.23062 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.