Structure Database (LMSD)
Common Name
13,14-Dihydro-15-oxo-lipoxin A4
Systematic Name
(5R,6R,7E,9E,11Z)-5,6-dihydroxy-15-oxoicosa-7,9,11-trienoic acid
Synonyms
LM ID
LMFA03050025
Status
Active
Exact Mass
Calculate m/z
352.224975
Formula
Abbrev
Main
Classification
Category
Main Class
Sub Class
String Representations
InChiKey (Click to copy)
FPRPRBFSKMFXRV-HJGGDGFVSA-N
InChi (Click to copy)
InChI=1S/C20H32O5/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/h4-7,10,14,18-19,22-23H,2-3,8-9,11-13,15-16H2,1H3,(H,24,25)/b6-4-,7-5+,14-10+/t18-,19-/m1/s1
SMILES (Click to copy)
C(CCC[C@@H](O)[C@H](O)/C=C/C=C/C=C\CCC(=O)CCCCC)(=O)O
References
Calculated Physicochemical Properties
Heavy Atoms
25
Rings
0
Aromatic Rings
0
Rotatable Bonds
15
Van der Waals Molecular Volume
385.31
Topological Polar Surface Area
94.83
Hydrogen Bond Donors
3
Hydrogen Bond Acceptors
5
logP
4.13
Molar Refractivity
100.33
Admin
Created at
-
Updated at
2nd Jul 2020