Structure Database (LMSD)
Systematic Name
11,12,19-trihydroxy-5Z,8Z,14Z-eicosatrienoic acid
Synonyms
LM ID
LMFA03050039
Formula
Exact Mass
Calculate m/z
354.240626
Sum Composition
Status
Curated
3D model of
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Classification
References
String Representations
InChiKey (Click to copy)
NQRSHIYQTIAKOJ-PFOCCQFLSA-N
InChi (Click to copy)
InChI=1S/C20H34O5/c1-17(21)13-9-7-8-11-15-19(23)18(22)14-10-5-3-2-4-6-12-16-20(24)25/h2,4-5,8,10-11,17-19,21-23H,3,6-7,9,12-16H2,1H3,(H,24,25)/b4-2-,10-5-,11-8-
SMILES (Click to copy)
C(CCC/C=C\C/C=C\CC(O)C(O)C/C=C\CCCC(O)C)(=O)O
Calculated Physicochemical Properties
Heavy Atoms
25
Rings
Aromatic Rings
Rotatable Bonds
15
Van der Waals Molecular Volume
387.95
Topological Polar Surface Area
97.99
Hydrogen Bond Donors
4
Hydrogen Bond Acceptors
5
logP
4.21
Molar Refractivity
101.84
Admin
Created at
8th Aug 2025
Updated at
8th Aug 2025