CID 52921886

15-keto-lipoxin a4

Structural Information

Molecular Formula
C20H30O5
SMILES
CCCCCC(=O)/C=C/C=C\C=C\C=C\[C@H]([C@H](CCCC(=O)O)O)O
InChI
InChI=1S/C20H30O5/c1-2-3-8-12-17(21)13-9-6-4-5-7-10-14-18(22)19(23)15-11-16-20(24)25/h4-7,9-10,13-14,18-19,22-23H,2-3,8,11-12,15-16H2,1H3,(H,24,25)/b6-4-,7-5+,13-9+,14-10+/t18-,19+/m1/s1
InChIKey
KMQGFEBCBYXSPZ-OABWHSJTSA-N
Compound name
(5S,6R,7E,9E,11Z,13E)-5,6-dihydroxy-15-oxoicosa-7,9,11,13-tetraenoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

37
Patents

350.20932 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 351.21660 190.5
[M+Na]+ 373.19854 194.1
[M+NH4]+ 368.24314 191.8
[M+K]+ 389.17248 191.8
[M-H]- 349.20204 186.6
[M+Na-2H]- 371.18399 185.8
[M]+ 350.20877 188.1
[M]- 350.20987 188.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe