Structure Database (LMSD)
Common Name
epi-Lipoxin A4
Systematic Name
5S,6S,15S-trihydroxy-7E,9E,11Z,13E-eicosatetraenoic acid
Synonyms
- 5S,6S-Lipoxin A4 epi-LXA4
LM ID
LMFA03040003
Formula
Exact Mass
Calculate m/z
352.224975
Sum Composition
Status
Active
3D model of epi-Lipoxin A4
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Main
Classification
Category
Main Class
Sub Class
String Representations
InChiKey (Click to copy)
IXAQOQZEOGMIQS-UZDWIPAXSA-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/h4-7,9-10,13-14,17-19,21-23H,2-3,8,11-12,15-16H2,1H3,(H,24,25)/b6-4-,7-5+,13-9+,14-10+/t17-,18-,19-/m0/s1
SMILES (Click to copy)
C(/C=C/C=C/[C@H](O)[C@@H](O)CCCC(O)=O)=C/C=C/[C@@H](O)CCCCC
References
Taxonomy Information
Curated from
NCBI taxonomy class
Reference
Homo sapiens
(#9606)
Mammalia
(#40674)
Lipidomics reveals a remarkable diversity of lipids in human plasma,
J Lipid Res, 2010
J Lipid Res, 2010
Pubmed ID:
20671299
DOI:
10.1194/jlr.M009449
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
25
Rings
0
Aromatic Rings
0
Rotatable Bonds
14
Van der Waals Molecular Volume
385.31
Topological Polar Surface Area
97.99
Hydrogen Bond Donors
4
Hydrogen Bond Acceptors
5
logP
3.99
Molar Refractivity
101.75
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Updated at
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