Structure Database (LMSD)
Common Name
5,14,15-trihydroxy-6,8,10,12-Eicosatetraenoic acid
Systematic Name
5,14,15-trihydroxy-6,8,10,12-Eicosatetraenoic acid
Synonyms
LM ID
LMFA01030749
Formula
Exact Mass
Calculate m/z
352.224975
Sum Composition
Status
Active
3D model of 5,14,15-trihydroxy-6,8,10,12-Eicosatetraenoic acid
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Classification
Category
Main Class
Sub Class
String Representations
InChiKey (Click to copy)
UXVRTOKOJOMENI-ICTGYCPSSA-N
InChi (Click to copy)
InChI=1S/C20H32O5/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/h4-7,9-10,12,15,17-19,21-23H,2-3,8,11,13-14,16H2,1H3,(H,24,25)/b6-4+,7-5+,12-9+,15-10+
SMILES (Click to copy)
C(CCCC(O)/C=C/C=C/C=C/C=C/C(O)C(O)CCCCC)(=O)O
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
Admin
Created at
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Updated at
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