CID 53481469

13,14-dihydro- lipoxin a4

Structural Information

Molecular Formula
C20H34O5
SMILES
CCCCC[C@H](CC/C=C\C=C\C=C\[C@H]([C@@H](CCCC(=O)O)O)O)O
InChI
InChI=1S/C20H34O5/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/h4-7,10,14,17-19,21-23H,2-3,8-9,11-13,15-16H2,1H3,(H,24,25)/b6-4-,7-5+,14-10+/t17-,18-,19-/m1/s1
InChIKey
WRFBDEURXXFJRY-WYMHFOEZSA-N
Compound name
(5R,6R,7E,9E,11Z,15R)-5,6,15-trihydroxyicosa-7,9,11-trienoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

354.24063 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 355.24791 192.8
[M+Na]+ 377.22985 195.7
[M+NH4]+ 372.27445 195.7
[M+K]+ 393.20379 195.3
[M-H]- 353.23335 186.1
[M+Na-2H]- 375.21530 187.6
[M]+ 354.24008 190.3
[M]- 354.24118 190.3
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.