CID 53481476

15-epi-lipoxin b5

Structural Information

Molecular Formula
C20H30O5
SMILES
CC/C=C\C[C@H]([C@@H](/C=C/C=C/C=C\C=C\[C@@H](CCCC(=O)O)O)O)O
InChI
InChI=1S/C20H30O5/c1-2-3-8-14-18(22)19(23)15-10-7-5-4-6-9-12-17(21)13-11-16-20(24)25/h3-10,12,15,17-19,21-23H,2,11,13-14,16H2,1H3,(H,24,25)/b6-4-,7-5+,8-3-,12-9+,15-10+/t17-,18+,19+/m0/s1
InChIKey
VLLDKSJDBRLUOY-XIFXWWOOSA-N
Compound name
(5R,6E,8Z,10E,12E,14R,15R,17Z)-5,14,15-trihydroxyicosa-6,8,10,12,17-pentaenoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

350.20932 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 351.21660 191.3
[M+Na]+ 373.19854 194.3
[M+NH4]+ 368.24314 189.8
[M+K]+ 389.17248 190.4
[M-H]- 349.20204 185.6
[M+Na-2H]- 371.18399 185.9
[M]+ 350.20877 188.6
[M]- 350.20987 188.6
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.